SCHEMBL7127931

SCHEMBL7127931

CC1(C)CC(C)(c2cc(C(C)(C)c3ccc(O)cc3)c(O)cc2O)c2cc(O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 2/20 0.37
AR P10275 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RXRA P19793 2/20 0.35
RXRB P28702 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.32
TYR P14679 2/20 0.30
NR1I2 O75469 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30

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
SCHEMBL8403336 0.82 ALDH1A1 (0.37) CYP3A4ALDH1A1LMNA
SCHEMBL8815064 0.82 RXRA (0.39) ESR1ESR2CYP3A4HSD17B10AR
SCHEMBL8405048 0.78 LMNA (0.38) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL23448995 0.76 ALDH1A1 (0.41) ESR1ESR2CYP3A4HSD17B10ALDH1A1
SCHEMBL686940 0.72 ESR1 (0.62) ESR1ESR2CYP3A4HSD17B10AR
SCHEMBL29459356 0.72 ALDH1A1 (0.38) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL7996227 0.72 ALDH1A1 (0.38) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL728580 0.72 ALDH1A1 (0.38) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL7996188 0.72 ALDH1A1 (0.38) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL8000482 0.71 LMNA (0.38) ESR1ESR2CYP3A4HPGDALDH1A1

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
JP-2003098664-A RESIN COMPOSITION, PHENOLIC COMPOUND USED IN THE SAME AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS INC 2003-04-04 JP disclosed