SCHEMBL8000447

SCHEMBL8000447

CC(C)(C)C=CC(=O)OCc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MIF P14174 1/20 0.42
TYR P14679 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AKR1B10 O60218 2/20 0.41
TTR P02766 2/20 0.41
AKR1B1 P15121 2/20 0.41
MET P08581 5/20 0.40
CA12 O43570 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40

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
SCHEMBL8011527 0.88 GSTP1 (0.44) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL932909 0.80 ALDH1A1 (0.50) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL12715355 0.78 ALDH1A1 (0.49) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL28407520 0.77 ALDH1A1 (0.47) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL8011740 0.77 NR1H4 (0.55) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL10705418 0.75 HCAR2 (0.65) ALDH1A1LMNAAKR1B10TTRAKR1B1
SCHEMBL1880576 0.75 HCAR2 (0.65) ALDH1A1LMNAAKR1B10TTRAKR1B1
SCHEMBL9706399 0.75 ALDH1A1 (0.45) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL27102396 0.74 ALDH1A1 (0.50) ALDH1A1NR1I2LMNACYP2C9MIF
SCHEMBL2564784 0.73 ALDH1A1 (0.57) ALDH1A1NR1I2LMNACYP2C9MIF

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-6013202-A ETHYLENE-MONOUNSATURATED ESTER COPOLYMER MODIFIED WITH SIDE-CHAINS COMPRISING AN INFLEXIBLE RING STRUCTURE BONDED TO THE BACKBONE CARBON WITH AT MOST 5 ATOMS INTERPOSED BETWEEN THEM AS ADHESION CONTROLLING ADDITIVE; POWER CABLE BICC GENERAL UK CABLES LIMITED (GB) 2000-01-11 US disclosed