SCHEMBL9643128

SCHEMBL9643128

CCCC(=O)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)C(C)(C)CC)c2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9642221 1.00 ABCB11 (0.39) ABCB11PTGES2NPSR1L3MBTL1GAA
SCHEMBL9643876 0.90 ABCB11 (0.47) ABCB11NPSR1L3MBTL1GAAMAPT
SCHEMBL9642638 0.86 ABCB11 (0.52) ABCB11NPSR1L3MBTL1GAAMAPT
SCHEMBL9642731 0.85 ABCB11 (0.42) ABCB11L3MBTL1GAAMAPTTP53
SCHEMBL9643151 0.84 ABCB11 (0.40) ABCB11NPSR1L3MBTL1GAAMAPT
SCHEMBL9642035 0.84 ABCB11 (0.40) ABCB11NPSR1L3MBTL1GAAMAPT
SCHEMBL10502823 0.82 ABCB11 (0.48) ABCB11PTGES2NPSR1GAAMAPT
SCHEMBL9642718 0.82 ABCB11 (0.48) ABCB11NPSR1L3MBTL1GAAMAPT
SCHEMBL9641843 0.81 ABCB11 (0.41) ABCB11ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9644053 0.81 ABCB11 (0.41) ABCB11ALDH1A1SMN1; SMN2KMT2AMEN1

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