SCHEMBL5036714

SCHEMBL5036714

C=C(C)c1cccc2cccc(CC)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
HSD17B10 Q99714 2/20 0.36
PTK2B Q14289 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 2/20 0.36
CLCN2 P51788 1/20 0.36
DAO P14920 1/20 0.36
HTR2A P28223 2/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CASP1 P29466 1/20 0.34
MPI P34949 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
NSD2 O96028 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
SCHEMBL1979885 0.85 PTK2B (0.36) HSD17B10PTK2BL3MBTL1HTR2AALDH1A1
SCHEMBL19417627 0.84 GABRA1 (0.41) GABRA1GABRB2HSD17B10PTK2BL3MBTL1
SCHEMBL1041519 0.82 HSD17B10 (0.41) HSD17B10PTK2BL3MBTL1PARP1ALDH1A1
SCHEMBL30226846 0.82 HSD17B10 (0.41) HSD17B10PTK2BL3MBTL1PARP1ALDH1A1
SCHEMBL2518088 0.81 PPARG (0.36) HSD17B10PTK2BL3MBTL1HTR2AALDH1A1
SCHEMBL29396009 0.78 GABRA1 (0.44) GABRA1GABRB2CLCN2ALDH1A1HPGD
SCHEMBL721894 0.78 GABRA1 (0.44) GABRA1GABRB2CLCN2ALDH1A1HPGD
SCHEMBL3244580 0.77 GABRA1 (0.52) GABRA1GABRB2HSD17B10ELANEDAO
SCHEMBL13837650 0.77 HSD17B10 (0.42) HSD17B10PTK2BL3MBTL1ALDH1A1HPGD
SCHEMBL1362480 0.77 GABRA1 (0.45) GABRA1GABRB2CLCN2PARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402645-B2 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20070155923-A1 Soluble polyfunctional vinyl aromatic polymer and method of producing the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-07-05 US disclosed