SCHEMBL9713801

SCHEMBL9713801

COc1cc(OC(C)=O)c2cc(Sc3ccc(Cl)cc3)ccc2c1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.51
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TNFSF11 O14788 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NQO1 P15559 1/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 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
SCHEMBL9713986 0.88 HTT (0.40) ABCB11HTTSMN1; SMN2TNFSF11NQO1
SCHEMBL9629306 0.86 ABCB11 (0.68) ABCB11LMNAMAPTHTTALDH1A1
SCHEMBL10832123 0.85 ABCB11 (0.72) ABCB11LMNAMAPTTP53HTT
SCHEMBL9713953 0.84 HTT (0.42) ABCB11LMNAMAPTTP53HTT
SCHEMBL9628189 0.82 ABCB11 (0.70) ABCB11LMNAMAPTHTTALDH1A1
SCHEMBL9627417 0.80 ABCB11 (0.68) ABCB11LMNAMAPTHTTALDH1A1
SCHEMBL9627379 0.80 ABCB11 (0.68) ABCB11LMNAMAPTHTTALDH1A1
SCHEMBL9713989 0.79 BACE1 (0.40) ABCB11MAPTHTTALDH1A1KDM4E
SCHEMBL9713934 0.79 ABCB11 (0.49) ABCB11LMNAMAPTHTTALDH1A1
SCHEMBL30226752 0.78 ABCB11 (0.57) ABCB11LMNAMAPTHTTALDH1A1

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