SCHEMBL9641815

SCHEMBL9641815

CCCCOc1c(OCCCC)c(OC(C)=O)c2ccc(Cl)cc2c1OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
FAAH O00519 1/20 0.34
MAPT P10636 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
PTGER1 P34995 3/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL9643097 1.00 ABCB11 (0.54) ABCB11ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL9642059 0.92 ABCB11 (0.63) ABCB11ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL9641994 0.92 ABCB11 (0.63) ABCB11ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL9643010 0.91 ABCB11 (0.65) ABCB11ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL9642724 0.85 ABCB11 (0.58) ABCB11ALDH1A1TDP1L3MBTL1PSEN1
SCHEMBL9643195 0.85 ABCB11 (0.58) ABCB11ALDH1A1TDP1L3MBTL1PSEN1
SCHEMBL9643666 0.84 ABCB11 (0.67) ABCB11ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL9641821 0.84 ABCB11 (0.54) ABCB11ALDH1A1PTGER1DHODH
SCHEMBL9643094 0.84 ABCB11 (0.54) ABCB11ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL9642397 0.84 ABCB11 (0.54) ABCB11ALDH1A1TDP1L3MBTL1MEN1

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