SCHEMBL8959929

SCHEMBL8959929

C=C=C1N=Cc2cc(OCC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
ESR2 Q92731 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CYP1A2 P05177 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL8960094 0.88 CYP3A4 (0.41) MAPTALDH1A1HSD17B10L3MBTL1MEN1
SCHEMBL8959969 0.75 CNR1 (0.39) MAPTHSD17B10MEN1KMT2AUSP2
SCHEMBL8960104 0.73 SKP2 (0.37) HPGDPOLBCA1NPC1TP53
SCHEMBL8959993 0.72 GPR3 (0.40) ALDH1A1HSD17B10KDM4EADORA3TP53
SCHEMBL8960160 0.71 GPR3 (0.42) ALDH1A1HSD17B10KDM4EADORA3TP53
SCHEMBL7756766 0.68 NQO1 (0.42) NQO1MAPTALDH1A1HSD17B10ESR2
SCHEMBL14085522 0.65 TP53 (0.49) NQO1MAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL16950555 0.65 KDM4E (0.47) NQO1MAPTALDH1A1HSD17B10ESR2
SCHEMBL339500 0.64 LTA4H (0.57) NQO1MAPTALDH1A1HSD17B10HPGD
SCHEMBL8959917 0.64 MAOA (0.42) NQO1MAPTALDH1A1HSD17B10ESR2

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-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed