SCHEMBL9643105

SCHEMBL9643105

CCC(C)Oc1c(OC(C)CC)c(OC(C)=O)c2cc(Cl)ccc2c1OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
PTGER1 P34995 8/20 0.33
PTGS2 P35354 1/20 0.32
DHODH Q02127 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1A O60341 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TBXA2R P21731 1/20 0.31
PPARG P37231 1/20 0.31
PTGER3 P43115 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9641821 1.00 ABCB11 (0.54) ABCB11PTGER1PTGS2DHODHADORA3
SCHEMBL9643015 0.92 ABCB11 (0.63) ABCB11DHODHSMN1; SMN2KDM5AKDM4C
SCHEMBL10337090 0.86 ABCB11 (0.54) ABCB11DHODHSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9642245 0.86 ABCB11 (0.54) ABCB11DHODHSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9642690 0.85 ABCB11 (0.54) ABCB11DHODHSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9643064 0.85 ABCB11 (0.54) ABCB11DHODHSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9643097 0.84 ABCB11 (0.54) ABCB11PTGER1DHODHALDH1A1
SCHEMBL9641815 0.84 ABCB11 (0.54) ABCB11PTGER1DHODHALDH1A1
SCHEMBL9643533 0.83 ABCB11 (0.70) ABCB11PTGER1DHODHADORA3
SCHEMBL9642402 0.82 ABCB11 (0.55) ABCB11DHODHSMN1; SMN2KDM5AKDM4C

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