SCHEMBL9643275

SCHEMBL9643275

COc1c(OC)c(OC(=O)C(C)c2ccccc2)c2cc(Cl)ccc2c1OCCc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PLA2G4A P47712 7/20 0.40
HAT1 O14929 2/20 0.36
EP300 Q09472 2/20 0.36
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
F2 P00734 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
SCHEMBL9641702 0.85 ABCB11 (0.60) ABCB11
SCHEMBL9643263 0.80 ABCB11 (0.45) ABCB11PLA2G4A
SCHEMBL9643541 0.79 ABCB11 (0.51) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9644111 0.79 ABCB11 (0.51) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9643198 0.79 ABCB11 (0.52) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9642523 0.79 ABCB11 (0.52) ABCB11
SCHEMBL9643254 0.73 ABCB11 (0.51) ABCB11
SCHEMBL9642160 0.71 ABCB11 (0.70) ABCB11
SCHEMBL9643850 0.71 MAPT (0.41) ABCB11
SCHEMBL9643344 0.71 ABCB11 (0.59) ABCB11PSEN1PSEN2APH1BNCSTN

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 3 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