SCHEMBL9643198

SCHEMBL9643198

COc1c(OC)c(OC(=O)C(C)c2ccccc2)c2ccc(Cl)cc2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.52
NPSR1 Q6W5P4 2/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
C5 P01031 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL9642523 0.95 ABCB11 (0.52) ABCB11NPSR1ALDH1A1L3MBTL1CRHBP
SCHEMBL9641702 0.93 ABCB11 (0.60) ABCB11NPSR1ALDH1A1L3MBTL1CRHBP
SCHEMBL9641621 0.85 ABCB11 (0.59) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9643541 0.84 ABCB11 (0.51) ABCB11NPSR1PSEN1PSEN2APH1B
SCHEMBL9644111 0.84 ABCB11 (0.51) ABCB11NPSR1PSEN1PSEN2APH1B
SCHEMBL9642080 0.81 ABCB11 (0.57) ABCB11ALDH1A1MAPTKMT2APDE4D
SCHEMBL9643855 0.80 ABCB11 (0.59) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9643275 0.79 ABCB11 (0.45) ABCB11PSEN1PSEN2APH1BNCSTN
SCHEMBL9641850 0.79 ABCB11 (0.83) ABCB11MAPTPDE4DTUBB4ATUBB
SCHEMBL9642749 0.78 ABCB11 (0.53) ABCB11ALDH1A1L3MBTL1MAPT

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