SCHEMBL9713648

SCHEMBL9713648

COc1cc(OC(C)=O)c2cc([S+]([O-])c3ccccc3Cl)ccc2c1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
ABCB11 O95342 1/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
TNFSF11 O14788 1/20 0.35
NQO1 P15559 1/20 0.34
TUBB4A P04350 3/20 0.34
TUBB P07437 3/20 0.34
TUBA3C P0DPH7 3/20 0.34
TUBA1B P68363 3/20 0.34
TUBA4A P68366 3/20 0.34
TUBB4B P68371 3/20 0.34
TUBB3 Q13509 3/20 0.34
TUBB2A Q13885 3/20 0.34

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
SCHEMBL9642926 0.86 ABCB11 (0.56) HTTABCB11MEN1KMT2AMAPT
SCHEMBL9713934 0.85 ABCB11 (0.49) HTTABCB11MEN1KMT2AMAPT
SCHEMBL9642065 0.83 ABCB11 (0.49) HTTABCB11MEN1KMT2AMAPT
SCHEMBL9713479 0.82 HTT (0.40) HTTABCB11MEN1KMT2AMAPT
SCHEMBL9713442 0.81 HTT (0.43) HTTABCB11MEN1KMT2AMAPT
SCHEMBL9641772 0.80 ABCB11 (0.49) HTTABCB11MEN1KMT2AMAPT
SCHEMBL9713691 0.78 KMT2A (0.36) HTTABCB11MEN1KMT2AMAPT
SCHEMBL9643126 0.77 ABCB11 (0.46) ABCB11ALOX5
SCHEMBL9642904 0.77 ABCB11 (0.46) ABCB11ALOX5
SCHEMBL9713741 0.77 ABCB11 (0.39) HTTABCB11MEN1KMT2AMAPT

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