SCHEMBL227363

SCHEMBL227363

COc1ccc2c(c1)CCC(=O)C2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
CYP2C19 P33261 1/20 0.60
DRD1 P21728 9/20 0.59
DRD5 P21918 8/20 0.59
DRD2 P14416 7/20 0.59
DRD3 P35462 7/20 0.59
METAP1 P53582 2/20 0.53
DRD4 P21917 5/20 0.53
BCL2 P10415 1/20 0.49
CYP2A6 P11509 1/20 0.48
CHRNA7 P36544 1/20 0.47
MAOB P27338 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL43307 0.93 METAP1 (0.53) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL29940518 0.93 METAP1 (0.53) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL14172824 0.89 DRD1 (0.56) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL228868 0.89 DRD1 (0.56) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL2062199 0.89 DRD1 (0.54) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL4041676 0.86 METAP1 (0.58) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL4971011 0.86 CYP11B1 (0.70) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
Sulfurous Acid SCHEMBL6400949 0.85 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL27844091 0.84 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL27843792 0.84 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 450 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623593-B1 NOVEL AMINOTRANSFERASE AND GENE ENCODING SAME, AND USE OF THE AMINOTRANSFERASE AND THE GENE KANEKA CORP (JP) 2017-07-12 EP claimed
EP-2684953-B1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORP (JP) 2017-06-28 EP claimed
EP-2623595-B1 NOVEL TRANSAMINASE SHOWING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR UTILIZATION THEREOF KANEKA CORP (JP) 2016-11-02 EP claimed
US-9481870-B2 Nucleic acid encoding a polypeptide having aminotransferase activity, vectors and host cells comprising the nucleic acid KANEKA CORPORATION (JP) 2016-11-01 US claimed
US-9029113-B2 Modified aminotransferase, gene thereof, and method for producing optically active amino compound using same KANEKA CORPORATION (JP) 2015-05-12 US claimed
CN-103534353-A Modified aminotransferase, gene thereof, and method for producing optically active amino compound using same KANEKA CORP 2014-01-22 CN claimed
EP-2684953-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME Kaneka Corporation (JP) 2014-01-15 EP claimed
US-20140004575-A1 MODIFIED AMINOTRANSFERASE, GENE THEREOF, AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUND USING SAME KANEKA CORPORATION (JP) 2014-01-02 US claimed
US-20130210092-A1 Novel Transaminase, Gene Encoding the Same, and Method Using Them KANEKA CORPORATION (JP) 2013-08-15 US claimed
EP-2623595-A1 NOVEL TRANSAMINASE SHOWING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR UTILIZATION THEREOF Kaneka Corporation (JP) 2013-08-07 EP claimed
EP-2623593-A1 NOVEL AMINOTRANSFERASE AND GENE ENCODING SAME, AND USE OF THE AMINOTRANSFERASE AND THE GENE Kaneka Corporation (JP) 2013-08-07 EP claimed
US-20130196389-A1 NOVEL TRANSAMINASE EXHIBITING HIGH ACTIVITY FOR GLUTAMIC ACID, GENE ENCODING SAME, AND METHOD FOR USING THEM KANEKA CORPORATION (JP) 2013-08-01 US claimed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 EP claimed
EP-0074903-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE, THEIR PREPARATION AND THEIR THERAPEUTIC USE SYNTHELABO (FR) 1986-11-05 EP claimed
JP-59163358-A None JP disclosed
EP-4710923-A2 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2026-03-18 EP disclosed
EP-3612030-B1 INDOLE AHR INHIBITORS AND USES THEREOF IKENA ONCOLOGY INC (US) 2025-12-24 EP disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3943172-A ANTIARRHYTHMIA A. CHRISTIAENS, SOCIETE ANONYME (BE) 1976-03-09 US disclosed