SCHEMBL9643380

SCHEMBL9643380

CCC(C)C(=O)Oc1c(OCC(C)(C)C)c(OCC(C)(C)C)c(OC(C)=O)c2cc(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.52
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 1/20 0.33
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
TDP1 Q9NUW8 1/20 0.32
MAOB P27338 1/20 0.32
DDR1 Q08345 1/20 0.32
ALOX15 P16050 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 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
SCHEMBL9643956 1.00 ABCB11 (0.52) ABCB11KDM4EALDH1A1RAB9AGRIN2D
SCHEMBL9642208 0.89 ABCB11 (0.65) ABCB11KDM4EDDR1ALOX15GAA
SCHEMBL9643104 0.87 ABCB11 (0.55) ABCB11KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL9642402 0.87 ABCB11 (0.55) ABCB11KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL9642397 0.82 ABCB11 (0.54) ABCB11ALDH1A1TDP1DDR1GAA
SCHEMBL9643094 0.82 ABCB11 (0.54) ABCB11ALDH1A1TDP1DDR1GAA
SCHEMBL9643020 0.82 ABCB11 (0.56) ABCB11KDM4EALDH1A1DDR1GAA
SCHEMBL9641797 0.82 ABCB11 (0.56) ABCB11KDM4EALDH1A1DDR1GAA
SCHEMBL9643337 0.77 ABCB11 (0.70) ABCB11KDM4EALDH1A1MAOBALOX15
SCHEMBL9643015 0.75 ABCB11 (0.63) ABCB11KDM4EALDH1A1RAB9AMAOB

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