SCHEMBL5039147

SCHEMBL5039147

C=C(C)c1ccc2ccccc2c1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.44
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
WDR5 P61964 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
LDHA P00338 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CDC25B P30305 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
SCHEMBL4535161 0.82 NCEH1 (0.51) NCEH1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL4170309 0.79 WDR5 (0.59) NCEH1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11594011 0.77 NCEH1 (0.50) NCEH1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL25799004 0.77 NCEH1 (0.50) NCEH1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL1554945 0.76 ALDH1A1 (0.42) NCEH1HSD17B10CYP1A2MAPTTDP1
SCHEMBL13273691 0.76 LDHA (0.58) CYP1A2CYP2C9CYP2C19KDM4EMAPT
SCHEMBL11266839 0.76 TSHR (0.52) NCEH1HSD17B10CYP1A2MAPTTDP1
SCHEMBL11802841 0.73 NCEH1 (0.50) NCEH1HSD17B10KDM4EMAPTALDH1A1
SCHEMBL28006860 0.73 CDC25B (0.60) NCEH1HSD17B10KDM4ETDP1ALDH1A1
SCHEMBL3361843 0.73 HSD17B10 (0.70) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E

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