SCHEMBL2653465

SCHEMBL2653465

Cc1cc(O)ccc1-c1ccccc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.55
ESR1 P03372 10/20 0.50
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP2C9 P11712 1/20 0.46
MIF P14174 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.43
ALOX12 P18054 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL1513492 0.81 ESR2 (0.67) ESR2ESR1ALDH1A1LMNAHSD17B10
SCHEMBL7520152 0.80 ALDH1A1 (0.57) ESR2ESR1ALDH1A1LMNANR1I2
SCHEMBL20034068 0.78 GABRA1 (0.50) ALDH1A1GABRA1GABRB2TSHRTDP1
SCHEMBL29494601 0.78 ESR2 (0.74) ESR2ESR1ALDH1A1ALOX15MAPT
SCHEMBL503213 0.78 ESR2 (0.74) ESR2ESR1ALDH1A1ALOX15MAPT
SCHEMBL7946603 0.77 ESR1 (0.48) ESR2ESR1ALDH1A1LMNANR1I2
SCHEMBL29120292 0.77 ESR2 (0.62) ESR2ESR1ALDH1A1LMNAMAPT
SCHEMBL29156177 0.76 ALDH1A1 (0.57) ESR2ESR1ALDH1A1LMNANR1I2
SCHEMBL28466720 0.76 ALDH1A1 (0.55) ALDH1A1LMNANR1I2CYP2C9MIF
SCHEMBL7858673 0.76 ALDH1A1 (0.67) ESR2ESR1ALDH1A1LMNANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001291-B Novel triazine compound and synthetic resin composition using same 株式会社艾迪科 2020-06-19 CN disclosed
CN-101878264-B Styrenic polymers as blend components to control adhesion between olefinic substrates DOW GLOBAL TECHNOLOGIES INC 2012-11-07 CN disclosed
CN-101878264-A Styrenic polymers as blend components to control adhesion between olefinic substrates DOW GLOBAL TECHNOLOGIES INC 2010-11-03 CN disclosed
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed