SCHEMBL22471704

SCHEMBL22471704

CCC(c1ccc(O)cc1)c1ccccc1C(CC)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
PGR P06401 1/20 0.56
CHRM2 P08172 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
AR P10275 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CHRM1 P11229 1/20 0.56
ALOX15 P16050 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL1176375 0.90 TSHR (0.57) ESR1LMNATDP1CYP1A2CYP3A4
SCHEMBL361277 0.89 LMNA (0.58) ESR1LMNATDP1CYP1A2CYP3A4
Benzene SCHEMBL28219933 0.89 ESR1 (0.62) ESR1LMNATDP1CYP1A2CYP3A4
SCHEMBL1171043 0.86 ESR1 (0.65) ESR1LMNATDP1CYP1A2CYP3A4
SCHEMBL74326 0.86 ESR1 (0.65) ESR1LMNATDP1CYP1A2CYP3A4
Hydroquinone SCHEMBL28097256 0.86 ESR1 (0.65) ESR1LMNATDP1CYP1A2CYP3A4
SCHEMBL8759505 0.85 CYP17A1 (0.47) ESR1LMNATDP1CYP1A2CYP3A4
Propane SCHEMBL28264453 0.84 ESR1 (0.62) ESR1LMNATDP1CYP1A2CYP3A4
SCHEMBL28544659 0.84 ESR1 (0.62) ESR1LMNATDP1CYP1A2CYP3A4
SCHEMBL11205377 0.84 HTR2A (0.54) LMNATDP1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947502-A1 METHACRYLATE MONOMER-BASED COMPOSITION Bostik SA (FR) 2022-02-09 EP disclosed
WO-2020193603-A1 METHACRYLATE MONOMER-BASED COMPOSITION BOSTIK SA (FR) 2020-10-01 WO disclosed