SCHEMBL9713692

SCHEMBL9713692

CC(=O)Oc1cc(OC(C)=O)c2cc(C#N)ccc2c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
NCEH1 Q6PIU2 2/20 0.40
TOP1 P11387 3/20 0.39
ABCB11 O95342 1/20 0.39
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
TNFSF11 O14788 1/20 0.35
ABCB1 P08183 1/20 0.34

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
SCHEMBL9713372 0.93 HTT (0.43) HTTNCEH1ABCB11MAPTTNFSF11
SCHEMBL9642122 0.81 ABCB11 (0.61) HTTNCEH1ABCB11KDM4EGAA
SCHEMBL28468360 0.77 TOP1 (0.47) HTTTOP1KDM4EGAAMAPT
SCHEMBL9641756 0.76 ABCB11 (0.52) HTTNCEH1ABCB11KDM4EGAA
SCHEMBL10522324 0.76 ABCB11 (0.40) HTTNCEH1ABCB11KDM4EGAA
SCHEMBL7067974 0.76 TSHR (0.53) NCEH1TOP1KDM4EGAAALDH1A1
SCHEMBL7918996 0.76 HTT (0.75) HTTTOP1ABCB11KDM4EGAA
SCHEMBL9713759 0.75 HTT (0.48) HTTTOP1ABCB11KDM4EGAA
SCHEMBL9641670 0.73 ABCB11 (0.52) HTTNCEH1ABCB11KDM4EGAA
SCHEMBL5780141 0.73 MRGPRX4 (0.49) HTTNCEH1KDM4EGAAALDH1A1

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