SCHEMBL22222995

SCHEMBL22222995

CCc1ccc(C(C)(C)c2ccc(CO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.44
ESR2 Q92731 5/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
AR P10275 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR6 P50406 1/20 0.44
ESRRG P62508 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KLF10 Q13118 1/20 0.42
EPHX2 P34913 1/20 0.42
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
PLK1 P53350 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL787308 0.91 ESR1 (0.52) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL16106154 0.89 ESR1 (0.48) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL92935 0.83 LPL (0.52) TSHRLPLLIPGPLK1ALDH1A1
SCHEMBL15889638 0.83 TSHR (0.46) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL8992820 0.83 ESR1 (0.59) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL27833259 0.83 ESR1 (0.70) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL6546659 0.80 TP53 (0.56) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL6546359 0.80 TSHR (0.48) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL2175643 0.79 EPHX2 (0.46) ESR1ESR2TSHRKLF10EPHX2
Methylamine SCHEMBL27945331 0.79 TAAR1 (0.50) TSHRLPLLIPGPLK1ALDH1A1

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-20200225581-A1 PHOTOSENSITIVE RESIN COMPOSITION, OPTICAL FILM, AND METHOD OF PRODUCING OPTICAL FILM ECHEM SOLUTIONS CORP. (TW) 2020-07-16 US disclosed