SCHEMBL25570534

SCHEMBL25570534

CC(C)(CC(C)(C)Oc1ccc2ccc(O)cc2c1)Oc1ccc2ccc(O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.44
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
ESR2 Q92731 8/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.44
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.39
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL18545835 0.84 CYP1A2 (0.48) ESR1KMT2AMEN1ESR2ATM
SCHEMBL12250947 0.76 KMT2A (0.44) ESR1KMT2AMEN1ESR2ATM
SCHEMBL12556819 0.75 CYP1A2 (0.35) CYP1A2ABL1CYP3A4
SCHEMBL31553173 0.74 KMT2A (0.62) ESR1KMT2AMEN1ESR2CYP1A2
SCHEMBL10380118 0.74 KMT2A (0.62) ESR1KMT2AMEN1ESR2CYP1A2
SCHEMBL216905 0.74 KMT2A (0.62) ESR1KMT2AMEN1ESR2CYP1A2
SCHEMBL20356051 0.73 CYP1A2 (0.58) ESR1KMT2AMEN1ESR2ATM
SCHEMBL12054411 0.73 CYP1A2 (0.58) ESR1KMT2AMEN1ESR2ATM
SCHEMBL12054413 0.73 CYP1A2 (0.58) ESR1KMT2AMEN1ESR2ATM
SCHEMBL741708 0.73 ESR1 (0.57) ESR1KMT2AMEN1ESR2ATM

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
WO-2023100722-A1 EPOXY RESIN 味の素株式会社 2023-06-08 WO disclosed