SCHEMBL9469860

SCHEMBL9469860

C=CCOc1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
FYN P06241 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AR P10275 1/20 0.40
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
HTT P42858 1/20 0.39
LIG1 P18858 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL9469300 0.84 ADRA2C (0.51) SQORADRB2ADRB1PTGDR2MAPK1
SCHEMBL19921086 0.84 ADRB2 (0.48) ADRB2ADRB1MAPK1HPGDTSHR
SCHEMBL515196 0.82 ADRB2 (0.59) ADRB2ADRB1MAPK1HPGDTSHR
SCHEMBL9435815 0.80 PTGDR2 (0.46) FYNPTGDR2MAPK1HPGDAR
SCHEMBL29107282 0.80 SYK (0.54) ADRB2ADRB1MAPK1HPGDTSHR
SCHEMBL6111939 0.80 GAA (0.50) ADRB2ADRB1MAPK1HPGDTSHR
SCHEMBL2395315 0.78 HPGD (0.43) SQORADRB2ADRB1MAPK1HPGD
SCHEMBL7764770 0.78 HPGD (0.55) ADRB2ADRB1MAPK1HPGDTSHR
SCHEMBL2395316 0.78 SQOR (0.46) SQORADRB2ADRB1MAPK1HPGD
SCHEMBL2356935 0.77 MMP2 (0.50) MAPK1HPGDMAOBMMP2MMP3

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-5262052-A Separation of polycyclic aromatic hydrocarbons BRIGHAM YOUNG UNIVERSITY (US) 1993-11-16 US disclosed