SCHEMBL9641652

SCHEMBL9641652

CCCC(=O)Oc1c(OC)c(OC)c(O)c2cc(C)c(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.43
▸ LDHA P00338 2/20 0.38
▸ LDHB P07195 2/20 0.38
▸ FASN P49327 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ VCAM1 P19320 1/20 0.34
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALOX5 P09917 1/20 0.32

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 0.92 AKR1B1 (0.41) AKR1B1LDHALDHBFASNALDH1A1
SCHEMBL9642684 0.90 AKR1B1 (0.42) AKR1B1LDHALDHBFASNALDH1A1
SCHEMBL9643120 0.83 AKR1B1 (0.37) AKR1B1LDHALDHBFASNALDH1A1
SCHEMBL9642125 0.82 THRA (0.43) AKR1B1LDHALDHB
SCHEMBL9641584 0.81 ABCB11 (0.54) AKR1B1LDHALDHBALDH1A1KDM4E
SCHEMBL9643555 0.81 ALDH1A1 (0.44) AKR1B1ALDH1A1KMT2AKDM4EGLA
SCHEMBL9642103 0.81 ABCB11 (0.58) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL9643387 0.81 ABCB11 (0.58) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL9641729 0.78 ABCB11 (0.37) AKR1B1LDHALDHBKMT2AGAA
SCHEMBL9643480 0.77 ABCB11 (0.36) AKR1B1ALDH1A1KMT2AKDM4EGLA

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
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