SCHEMBL7672871

SCHEMBL7672871

O=C(O)CCC1CCc2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
HTR1A P08908 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
ACHE P22303 1/20 0.51
HTR2C P28335 3/20 0.51
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP26A1 O43174 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
SCHEMBL8536795 0.91 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL7167409 0.90 CYP19A1 (0.53) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL27582477 0.89 CYP19A1 (0.52) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL8535642 0.84 CYP19A1 (0.58) CYP19A1HTR1ASIGMAR1ACHEALDH1A1
SCHEMBL8667349 0.84 METAP1 (0.54) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL6689014 0.83 CYP19A1 (0.61) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL14061950 0.81 CYP26A1 (0.67) CYP19A1CYP26A1
SCHEMBL8534761 0.81 ALDH1A1 (0.52) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL8536658 0.80 HTR2C (0.50) CYP19A1HTR1ASIGMAR1ACHEHTR2C
SCHEMBL6694407 0.80 CYP19A1 (0.61) CYP19A1HTR1ASIGMAR1ACHEHTR2C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101450912-B Tetrahydronaphthalene substituted benzoic acid derivatives KBP BIOSCIENCES CO LTD 2012-05-30 CN disclosed
CN-101450912-A Tetrahydronaphthalene substituted benzoic acid derivates SHANDONG XUANZHU MEDICAL SCI T (CN) 2009-06-10 CN disclosed
EP-1231938-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
WO-2001034137-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
US-5847159-A 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-12-08 US disclosed
EP-0825180-A1 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-02-25 EP disclosed
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed