SCHEMBL7948453

SCHEMBL7948453

CCC(C)(c1cccc(C)c1-c1ccc(O)cc1C(C)(C)C)c1cccc(C)c1-c1ccc(O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40
TYR P14679 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CA2 P00918 1/20 0.36
ANPEP P15144 1/20 0.35
DPP4 P27487 1/20 0.35
NLRP3 Q96P20 1/20 0.34
ESR2 Q92731 5/20 0.34
MGAM O43451 1/20 0.32

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
SCHEMBL7946600 0.85 GABRA1 (0.47) GABRA1GABRB2ALDH1A1NR1I2LMNA
SCHEMBL3979932 0.81 ALDH1A1 (0.46) GABRA1GABRB2ALDH1A1NR1I2LMNA
SCHEMBL7948456 0.75 LMNA (0.43) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL7848525 0.71 ALDH1A1 (0.57) GABRA1GABRB2ALDH1A1NR1I2LMNA
SCHEMBL7948439 0.71 PDK2 (0.38) GABRA1GABRB2ALDH1A1NR1I2LMNA
SCHEMBL7858673 0.71 ALDH1A1 (0.67) GABRA1GABRB2ALDH1A1NR1I2LMNA
SCHEMBL30629387 0.71 ALDH1A1 (0.67) GABRA1GABRB2ALDH1A1NR1I2LMNA
SCHEMBL69508 0.70 ESR2 (0.42) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL5079537 0.70 GABRA1 (0.64) GABRA1GABRB2ALDH1A1CYP2C9HSD17B10
SCHEMBL29091704 0.70 ALDH1A1 (0.52) GABRA1GABRB2ALDH1A1NR1I2LMNA

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-6258498-B1 POLYCARBONATE PROTECTIVE COATING CANON KABUSHIKI KAISHA (JP) 2001-07-10 US disclosed