SCHEMBL9714031

SCHEMBL9714031

CCCCCCSc1cc(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.58
ABCB11 O95342 1/20 0.47
LMNA P02545 2/20 0.46
PKM P14618 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL10831598 0.84 ABCB11 (0.54) PTGS2ABCB11LMNAPKMHTT
SCHEMBL9713684 0.80 ABCB11 (0.57) PTGS2ABCB11LMNAHTTNPC1
SCHEMBL9713395 0.78 ABCB11 (0.52) PTGS2ABCB11HTTNPC1RAB9A
SCHEMBL9713468 0.76 ABCB11 (0.53) PTGS2ABCB11LMNAHTTNPC1
SCHEMBL9713703 0.74 ABCB11 (0.51) PTGS2ABCB11LMNAHTTNPC1
SCHEMBL6535129 0.74 PTGS2 (1.00) PTGS2
SCHEMBL9628176 0.73 ABCB11 (0.56) PTGS2ABCB11LMNAHTTHPGD
SCHEMBL13659627 0.73 PTGS2 (1.00) PTGS2
SCHEMBL9643195 0.72 ABCB11 (0.58) PTGS2ABCB11ALOX5
SCHEMBL9642724 0.72 ABCB11 (0.58) PTGS2ABCB11ALOX5

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
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed