SCHEMBL9713732

SCHEMBL9713732

CC(=O)Oc1cc(Oc2ccc(Cl)cc2)c(OC(C)=O)c2ccc(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.56
HTT P42858 3/20 0.43
CCNC P24863 6/20 0.40
CDK8 P49336 6/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9713245 0.92 ABCB11 (0.53) ABCB11HTTKDM4EMAPTSMN1; SMN2
SCHEMBL9629407 0.89 HTT (0.57) ABCB11HTTCCNCCDK8KDM4E
SCHEMBL9629306 0.85 ABCB11 (0.68) ABCB11HTTKDM4EMAPTSMN1; SMN2
SCHEMBL9713667 0.83 ABCB11 (0.65) ABCB11HTTKDM4EMAPTSMN1; SMN2
SCHEMBL9714251 0.82 HTT (0.48) ABCB11HTTCCNCCDK8KDM4E
SCHEMBL9628176 0.81 ABCB11 (0.56) ABCB11HTTKDM4EMAPTSMN1; SMN2
SCHEMBL9713395 0.81 ABCB11 (0.52) ABCB11HTTKDM4EMAPTSMN1; SMN2
SCHEMBL9628189 0.80 ABCB11 (0.70) ABCB11HTTMAPTSMN1; SMN2LMNA
SCHEMBL9627666 0.80 GAA (0.56) ABCB11HTTCCNCCDK8KDM4E
SCHEMBL9627379 0.79 ABCB11 (0.68) ABCB11HTTKDM4EMAPTSMN1; SMN2

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