SCHEMBL9713468

SCHEMBL9713468

CC(=O)Oc1cc(SC(C)C)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 3/20 0.42
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 5/20 0.33
TOP1 P11387 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL9713684 0.85 ABCB11 (0.57) ABCB11HTTMAPTKDM4EMEN1
SCHEMBL10832118 0.81 ABCB11 (0.62) ABCB11HTTMAPTKDM4EMEN1
SCHEMBL9713703 0.80 ABCB11 (0.51) ABCB11HTTMAPTKDM4EMEN1
SCHEMBL9629306 0.77 ABCB11 (0.68) ABCB11HTTMAPTKDM4EMEN1
SCHEMBL9714031 0.76 PTGS2 (0.58) ABCB11HTTLMNAHPGDNPSR1
SCHEMBL9713401 0.75 ABCB11 (0.51) ABCB11HTTMAPTKDM4EMEN1
SCHEMBL9713667 0.75 ABCB11 (0.65) ABCB11HTTMAPTKDM4EMEN1
SCHEMBL9627379 0.74 ABCB11 (0.68) ABCB11HTTMAPTKDM4EMEN1
SCHEMBL9713732 0.74 ABCB11 (0.56) ABCB11HTTMAPTKDM4EMEN1
SCHEMBL9628176 0.74 ABCB11 (0.56) ABCB11HTTMAPTKDM4EMEN1

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