SCHEMBL6982008

SCHEMBL6982008

CO[CH]COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.50
KCNA3 P22001 1/20 0.46
CA4 P22748 1/20 0.44
LTA4H P09960 2/20 0.43
HTR1B P28222 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LMNA P02545 1/20 0.42
HTR1D P28221 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2650170 0.79 AOC3 (0.52) AOC3KCNA3LTA4HHTR1BHDAC3
SCHEMBL11553436 0.78 AOC3 (0.57) AOC3KCNA3CA4LTA4HHTR1B
SCHEMBL10769434 0.77 AOC3 (0.50) AOC3KCNA3LTA4HHTR1BHDAC3
SCHEMBL394830 0.76 AOC3 (0.54) AOC3KCNA3CA4LTA4HHTR1B
SCHEMBL13313286 0.76 AOC3 (0.70) AOC3KCNA3CA4LTA4HHTR1B
SCHEMBL16166836 0.76 AOC3 (0.53) AOC3KCNA3CA4LTA4HHTR1B
SCHEMBL419305 0.75 AOC3 (0.78) AOC3KCNA3LTA4HHTR1BHDAC3
SCHEMBL419306 0.75 AOC3 (0.78) AOC3KCNA3LTA4HHTR1BHDAC3
SCHEMBL1445312 0.75 AOC3 (0.58) AOC3KCNA3LTA4HHTR1BHDAC3
SCHEMBL157053 0.74 ALOX15 (0.47) AOC3LMNAALDH1A1ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP claimed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP claimed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US claimed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
CN-105492460-A Stabilized polypeptide insulin receptor modulators HARVARD COLLEGE 2016-04-13 CN disclosed
CN-102256966-B Solubility mTOR mixture and its conditioning agent WHITEHEAD BIOMEDICAL INST (US) 2016-02-10 CN disclosed
CN-104910025-A AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY 2015-09-16 CN disclosed
CN-102164987-B Catalyst and process for synthesizing polymers NOVOMER INC 2015-07-08 CN disclosed
CN-104710487-A Triterpene saponins, methods of synthesis, and uses thereof SLOAN KETTERING INST CANCER 2015-06-17 CN disclosed
CN-102245559-B Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INST TECHNOLOGY 2015-05-27 CN disclosed
CN-86106534-A Carbocyclic purine nucleosides, its preparation and purposes 1987-05-27 CN disclosed
EP-0008540-B1 2-ARYL-1,3-INDANDIONE DERIVATIVES AND COMPOSITIONS COMPRISING THEM FOR CONTROLLING ECTOPARASITIC ACARINA UNION CARBIDE CORPORATION (US) 1984-10-24 EP disclosed
US-4386086-A ENOL DERIVATIVES OF 2-ARYL-1,3-INDANDIONES UNION CARBIDE CORPORATION (US) 1983-05-31 US disclosed
EP-0008540-A2 2-aryl-1,3-indandione derivatives and compositions comprising them for controlling ectoparasitic acarina UNION CARBIDE CORPORATION (US) 1980-03-05 EP disclosed
US-4104043-A Esters of 3-hydroxyindone compounds as herbicides and miticides UNION CARBIDE CORPORATION (US) 1978-08-01 US disclosed
US-4091006-A MITICIDES AND HERBICIDES UNION CARBIDE CORPORATION (US) 1978-05-23 US disclosed
US-3941791-A OPTICAL BRIGHTENER BASF AKTIENGESELLSCHAFT (DT) 1976-03-02 US disclosed