SCHEMBL9643120

SCHEMBL9643120

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ FASN P49327 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ELANE P08246 6/20 0.33
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 1/20 0.33
▸ VCAM1 P19320 1/20 0.33
▸ BCL9 O00512 1/20 0.32
▸ CTNNB1 P35222 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 0.90 AKR1B1 (0.41) AKR1B1ALDH1A1KMT2AKDM4EGLA
SCHEMBL9643310 0.83 ABCB11 (0.58) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL9642383 0.83 ABCB11 (0.58) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL9641652 0.83 AKR1B1 (0.43) AKR1B1ALDH1A1KMT2AKDM4EGLA
SCHEMBL9643301 0.82 THRA (0.41) —
SCHEMBL9643316 0.81 ABCB11 (0.38) AKR1B1ALDH1A1KMT2AKDM4EGLA
SCHEMBL9641636 0.81 ABCB11 (0.38) AKR1B1ALDH1A1KMT2AKDM4EGLA
SCHEMBL9642125 0.80 THRA (0.43) AKR1B1LDHALDHB
SCHEMBL9643555 0.79 ALDH1A1 (0.44) AKR1B1ALDH1A1KMT2AKDM4EGLA
SCHEMBL9641747 0.74 AKR1B1 (0.45) AKR1B1ALDH1A1KDM4EGAALMNA

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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