SCHEMBL9642402

SCHEMBL9642402

CCC(C)Oc1c(OCC(C)(C)C)c(OCC(C)(C)C)c(OC(C)=O)c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.55
ALDH1A1 P00352 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DDR1 Q08345 1/20 0.32
DHODH Q02127 2/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL9643104 1.00 ABCB11 (0.55) ABCB11ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL9642208 0.89 ABCB11 (0.65) ABCB11KDM4EDDR1SMN1; SMN2CYP1A2
SCHEMBL9643015 0.87 ABCB11 (0.63) ABCB11ALDH1A1KDM4EDHODHKDM5A
SCHEMBL9643956 0.87 ABCB11 (0.52) ABCB11ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL9643380 0.87 ABCB11 (0.52) ABCB11ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL9641821 0.82 ABCB11 (0.54) ABCB11ALDH1A1KDM4EDHODHKDM5A
SCHEMBL9643094 0.82 ABCB11 (0.54) ABCB11ALDH1A1TDP1DDR1DHODH
SCHEMBL9642397 0.82 ABCB11 (0.54) ABCB11ALDH1A1TDP1DDR1DHODH
SCHEMBL9643105 0.82 ABCB11 (0.54) ABCB11ALDH1A1KDM4EDHODHKDM5A
SCHEMBL9641797 0.82 ABCB11 (0.56) ABCB11ALDH1A1KDM4EDDR1SMN1; SMN2

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