SCHEMBL9713759

SCHEMBL9713759

CSc1ccc2c(OC(C)=O)c(OC(C)=O)cc(OC(C)=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
TOP1 P11387 3/20 0.40
ABCB11 O95342 1/20 0.40
GAA P10253 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.36
TNFSF11 O14788 1/20 0.36
ABCB1 P08183 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7918996 0.77 HTT (0.75) HTTTOP1ABCB11GAAKDM4E
SCHEMBL9713986 0.76 HTT (0.40) HTTABCB11KMT2ATNFSF11ABCB1
SCHEMBL9713801 0.76 ABCB11 (0.51) HTTABCB11KDM4EMAPTTP53
SCHEMBL9713692 0.75 HTT (0.47) HTTTOP1ABCB11GAAKDM4E
SCHEMBL9713982 0.74 HTT (0.56) HTTTOP1ABCB11GAAKDM4E
SCHEMBL9627729 0.73 TUBB4A (0.54) HTTABCB11MAPTALDH1A1KMT2A
SCHEMBL9627541 0.73 HTT (0.51) HTTABCB11GAAKDM4EMAPT
SCHEMBL9713989 0.73 BACE1 (0.40) HTTABCB11GAAKDM4EMAPT
SCHEMBL9713953 0.73 HTT (0.42) HTTABCB11GAAKDM4EMAPT
SCHEMBL9713684 0.72 ABCB11 (0.57) HTTTOP1ABCB11GAAKDM4E

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