SCHEMBL5403133

SCHEMBL5403133

C=CCc1ccc(-c2ccccc2)c(CC=C)c1CC=C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRB2 P47870 3/20 0.40
DPP4 P27487 1/20 0.35
AKR1B1 P15121 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
ACVR1 Q04771 1/20 0.35

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
SCHEMBL9859732 0.87 GABRA1 (0.37) GABRA1GABRB2DPP4AKR1B1AURKA
SCHEMBL2362467 0.87 GABRA1 (0.52) GABRA1GABRB2DPP4AKR1B1AURKA
SCHEMBL9504989 0.86 GABRA1 (0.36) GABRA1GABRB2DPP4AKR1B1AURKA
SCHEMBL8605193 0.86 GABRA1 (0.36) GABRA1GABRB2DPP4AKR1B1AURKA
SCHEMBL5617569 0.86 GABRA1 (0.36) GABRA1GABRB2DPP4AKR1B1AURKA
SCHEMBL1646863 0.86 GABRA1 (0.36) GABRA1GABRB2DPP4AKR1B1AURKA
Bromide SCHEMBL27823869 0.84 GABRA1 (0.49) GABRA1GABRB2DPP4AKR1B1AURKA
SCHEMBL2362270 0.83 GABRA1 (0.39) GABRA1GABRB2DPP4AKR1B1AURKA
SCHEMBL10766912 0.82 ALDH1A1 (0.38) GABRA1GABRB2KMT2AMEN1MAPT
SCHEMBL1918099 0.81 GABRA1 (0.43) GABRA1GABRB2AKR1B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205445-B2 Method of continuous production of polyalkylbiphenyls NIPPON PETROCHEMICALS, CO., LTD. (JP) 2007-04-17 US disclosed
US-20040073074-A1 Method of continuous production of polyalkylbiphenyls ENEOS CORPORATION (JP) 2004-04-15 US disclosed
JP-2004107328-A METHOD FOR CONTINUOUSLY PRODUCING POLYALKYLBIPHENYL NIPPON PETROCHEMICALS CO LTD 2004-04-08 JP disclosed
JP-2004091395-A METHOD FOR CONTINUOUSLY PRODUCING ALKYBIPHENYL NIPPON PETROCHEMICALS CO LTD 2004-03-25 JP disclosed