SCHEMBL9642125

SCHEMBL9642125

CCCCCOc1c(OC)c(OC)c(OC(=O)CCC)c2cc(C)c(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 5/20 0.43
▸ THRB P10828 5/20 0.43
▸ AKR1B1 P15121 3/20 0.38
▸ LDHA P00338 1/20 0.36
▸ LDHB P07195 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ S1PR2 O95136 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35

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
SCHEMBL9641940 0.89 AKR1B1 (0.41) AKR1B1LDHALDHB
SCHEMBL9641694 0.88 THRA (0.39) THRATHRBAKR1B1ESR1
SCHEMBL9643301 0.83 THRA (0.41) THRATHRBESR1S1PR2S1PR1
SCHEMBL9641652 0.82 AKR1B1 (0.43) AKR1B1LDHALDHB
SCHEMBL9641747 0.81 AKR1B1 (0.45) AKR1B1LDHALDHB
SCHEMBL9643120 0.80 AKR1B1 (0.37) AKR1B1LDHALDHB
SCHEMBL9643555 0.78 ALDH1A1 (0.44) AKR1B1ESR1
SCHEMBL9642722 0.77 MTNR1A (0.41) THRATHRBPLA2G2A
SCHEMBL9641919 0.75 TOP2A (0.40) AKR1B1
SCHEMBL9641993 0.75 TOP2A (0.40) AKR1B1

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 4 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
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
Send feedback