SCHEMBL7434823

SCHEMBL7434823

CCCCSc1ccc2c(c1)OCC(C=O)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.37
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
THRB P10828 2/20 0.32
XDH P47989 1/20 0.32
S1PR1 P21453 2/20 0.32
SGPL1 O95470 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7434827 0.80 HPGD (0.45) HSD17B10ALDH1A1HPGDKDM4ETHRB
SCHEMBL7434681 0.80 HCRTR2 (0.36) HSD17B10ALDH1A1KDM4EMAOBNPC1
SCHEMBL7426663 0.78 TRPV1 (0.38) HPGDTHRB
SCHEMBL7440239 0.74 PNMT (0.39) HSD17B10ALDH1A1HPGDKDM4ETHRB
SCHEMBL7437379 0.74 MAOA (0.35) ARHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL7446269 0.73 HPGD (0.32) HPGD
SCHEMBL7437340 0.72 CA2 (0.42) MAOBNPC1RAB9A
SCHEMBL14501846 0.72 LMNA (0.44) ARHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL14501849 0.72 LMNA (0.44) ARHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL7443159 0.69 CA2 (0.48) MAOBNPC1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed