SCHEMBL9713245

SCHEMBL9713245

CC(=O)Oc1cc(Oc2ccccc2)c(OC(C)=O)c2ccc(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.53
HTT P42858 5/20 0.48
LMNA P02545 5/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
MPI P34949 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9713732 0.92 ABCB11 (0.56) ABCB11HTTLMNAL3MBTL1KDM4E
SCHEMBL9629407 0.87 HTT (0.57) ABCB11HTTLMNAL3MBTL1KDM4E
SCHEMBL9628204 0.86 HTT (0.63) HTTLMNAL3MBTL1KDM4EMAPT
SCHEMBL9642959 0.84 ABCB11 (0.67) ABCB11HTTLMNAL3MBTL1KDM4E
SCHEMBL9713839 0.84 L3MBTL1 (0.46) HTTLMNAL3MBTL1KDM4EMAPT
SCHEMBL9629306 0.82 ABCB11 (0.68) ABCB11HTTLMNAKDM4EMAPT
SCHEMBL9713667 0.81 ABCB11 (0.65) ABCB11HTTLMNAL3MBTL1KDM4E
SCHEMBL30226827 0.80 ABCB11 (0.45) ABCB11HTTLMNAL3MBTL1POLB
SCHEMBL9629311 0.80 HTT (0.55) ABCB11HTTLMNAL3MBTL1KDM4E
SCHEMBL9642545 0.80 ABCB11 (0.57) ABCB11HTTLMNAL3MBTL1KDM4E

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