SCHEMBL9643232

SCHEMBL9643232

COC1=C(OC)C(=O)c2cc(Sc3ccccc3Cl)ccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
CDC25A P30304 2/20 0.47
CDC25B P30305 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAP2K7 O14733 1/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL9713584 0.83 IDO1 (0.52) HPGDCDC25ACDC25BG6PDCCR6
SCHEMBL9643160 0.81 MAOA (0.58) ALDH1A1MAPTHPGDCDC25ACDC25B
SCHEMBL9713415 0.77 BCL2 (0.39) MAPTHPGDKDM4EG6PDCCR6
SCHEMBL11214415 0.76 ADORA2A (0.56) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL11142654 0.75 MAPT (0.49) ALDH1A1MAPTHPGDCDC25ACDC25B
SCHEMBL9641876 0.75 MAPT (0.55) ALDH1A1MAPTHPGDCDC25ACDC25B
SCHEMBL9641733 0.75 MCL1 (0.63) ALDH1A1MAPTHPGDCDC25ACDC25B
SCHEMBL9313126 0.71 S100A4 (0.62) ALDH1A1MAPTHPGDCDC25ACDC25B
SCHEMBL9643273 0.71 ALDH1A1 (0.50) ALDH1A1MAPTHPGDCDC25ACDC25B
SCHEMBL9641655 0.69 KDM4E (0.50) ALDH1A1MAPTHPGDCDC25ACDC25B

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
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 EP disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed