SCHEMBL9643143

SCHEMBL9643143

CCCCCC(=O)Oc1c(OCCC)c(OCCC)c(OC(=O)CC)c2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.43
EPHX2 P34913 5/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
ALOX15 P16050 5/20 0.38
DHODH Q02127 1/20 0.36
BACE1 P56817 1/20 0.36
GAA P10253 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
SCHEMBL9642923 1.00 ABCB11 (0.43) ABCB11EPHX2ALDH1A1TDP1L3MBTL1
SCHEMBL9643614 0.93 ABCB11 (0.45) ABCB11EPHX2ALDH1A1TDP1L3MBTL1
SCHEMBL9642038 0.93 ABCB11 (0.45) ABCB11EPHX2ALDH1A1TDP1L3MBTL1
SCHEMBL9643262 0.92 ABCB11 (0.44) ABCB11EPHX2ALDH1A1TDP1L3MBTL1
SCHEMBL9643429 0.92 ABCB11 (0.44) ABCB11EPHX2ALDH1A1TDP1L3MBTL1
SCHEMBL9642891 0.92 ABCB11 (0.50) ABCB11ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL9643775 0.88 ELANE (0.39) ABCB11EPHX2ALDH1A1TDP1L3MBTL1
SCHEMBL9644013 0.88 ELANE (0.39) ABCB11EPHX2ALDH1A1TDP1L3MBTL1
SCHEMBL9642712 0.85 ABCB11 (0.37) ABCB11EPHX2ALOX15GAA
SCHEMBL9643664 0.85 ABCB11 (0.37) ABCB11EPHX2ALOX15GAA

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