SCHEMBL12205178

SCHEMBL12205178

CCC(C)(c1ccc(O)cc1)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.47
ESR2 Q92731 11/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TYR P14679 1/20 0.42
AR P10275 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 1/20 0.42
ESRRG P62508 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SHBG P04278 1/20 0.40
LTA4H P09960 1/20 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
SCHEMBL7185797 0.91 NPC1 (0.40) ESR1ESR2CYP3A4ALDH1A1HPGD
SCHEMBL12805064 0.85 LTA4H (0.55) ESR1ESR2MEN1KMT2ACYP3A4
SCHEMBL68287 0.84 ESR1 (0.62) ESR1ESR2MEN1KMT2ACYP3A4
SCHEMBL8760898 0.84 ESR2 (0.53) ESR1ESR2CYP3A4ALDH1A1LMNA
Methyl Alcohol SCHEMBL28148921 0.82 ESR1 (0.60) ESR1ESR2MEN1KMT2ACYP3A4
Hydroquinone SCHEMBL28076396 0.82 MEN1 (0.57) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL57369 0.82 MEN1 (0.57) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL8761121 0.82 LTA4H (0.61) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL8761103 0.81 KDM4E (0.40) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL12204980 0.81 ESR2 (0.67) ESR1ESR2MEN1KMT2AKDM4E

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
EP-2378363-A1 POLYCARBONATE RESIN, COATING LIQUID CONTAINING SAME, AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY Idemitsu Kosan Co., Ltd. (JP) 2011-10-19 EP disclosed