SCHEMBL9627563

SCHEMBL9627563

CCOc1c(C)c(OCC)c2cc(Cl)ccc2c1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.63
ALOX15 P16050 5/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAOB P27338 1/20 0.37
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
IDE P14735 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
SCHEMBL9627670 0.95 ABCB11 (0.59) ABCB11ALOX15KDM4EHSD17B10HTT
SCHEMBL9643337 0.92 ABCB11 (0.70) ABCB11ALOX15KDM4EHSD17B10HTT
SCHEMBL9654917 0.84 ABCB11 (0.50) ABCB11ALOX15KDM4EGAAMAPT
SCHEMBL9642519 0.84 ABCB11 (0.59) ABCB11ALOX15KDM4EHSD17B10HTT
SCHEMBL9643229 0.84 ABCB11 (0.59) ABCB11ALOX15KDM4EHSD17B10HTT
SCHEMBL9643471 0.83 ABCB11 (0.59) ABCB11ALOX15KDM4EHSD17B10HTT
SCHEMBL9641671 0.83 ABCB11 (0.59) ABCB11ALOX15KDM4EHSD17B10HTT
SCHEMBL9657151 0.83 ABCB11 (0.46) ABCB11ALOX15KDM4EGAAMAPT
SCHEMBL9627611 0.83 KDM4E (0.50) ABCB11KDM4EHSD17B10HTTGAA
SCHEMBL9643362 0.82 ABCB11 (0.58) ABCB11KDM4EMAPTMAOBL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed