SCHEMBL7919361

SCHEMBL7919361

CC(C)Cc1cc(C(C)c2ccc(O)c(CC(C)C)c2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.63
GABRB2 P47870 2/20 0.63
ESR1 P03372 3/20 0.41
PDCD1 Q15116 1/20 0.41
ESR2 Q92731 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
RNASEH1 O60930 1/20 0.40
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
USP2 O75604 3/20 0.39
ALOX12 P18054 4/20 0.38
HIF1A Q16665 4/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 4/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
RECQL P46063 2/20 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
SCHEMBL5165456 0.88 GABRA1 (0.63) GABRA1GABRB2ESR1RNASEH1HPGD
SCHEMBL29664138 0.83 GABRA1 (0.58) GABRA1GABRB2RNASEH1HPGDHSD17B10
SCHEMBL920814 0.82 ESR1 (0.50) GABRA1GABRB2ESR1PDCD1ESR2
SCHEMBL5877825 0.79 GABRA1 (0.68) GABRA1GABRB2ESR1HPGDHSD17B10
SCHEMBL3287169 0.78 ALOX5 (0.47) GABRA1GABRB2ESR1PDCD1ESR2
SCHEMBL318750 0.78 GABRA1 (1.00) GABRA1GABRB2ESR1HPGDHSD17B10
SCHEMBL3960601 0.78 GABRA1 (0.66) GABRA1GABRB2HPGDHSD17B10KDM4E
SCHEMBL17069247 0.76 GABRA1 (0.63) GABRA1GABRB2HPGDHSD17B10USP2
SCHEMBL11498104 0.76 GABRA1 (0.36) GABRA1GABRB2ESR1PDCD1ESR2
SCHEMBL2096847 0.76 GABRA1 (0.63) GABRA1GABRB2HPGDKDM4EALOX12

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-6217995-B1 TRANSPARENT POLYCARBONATE OR POLYESTERCARABONATE CONTAINING CYCLIC ALIPHATIC GROUP, HAVING A VISIBLE LIGHT TRANSMITTANCE MORE THAN 80% AND A GLASS TRANSITION TEMPERATURE LESS THAN 80 DEGREE C. EXHIBIT BIREFRINGENCE INDEX LESS THAN 15 NM MITSUBISHI CHEMICAL CORPORATION (JP) 2001-04-17 US disclosed