SCHEMBL31037129

SCHEMBL31037129

Oc1cc(O)c2cc(O)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.60
CYP1A2 P05177 1/20 0.48
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
ESR2 Q92731 10/20 0.44
ESR1 P03372 9/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TYR P14679 1/20 0.41

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
SCHEMBL4963546 1.00 NQO2 (0.60) NQO2CYP1A2ABL1ABCB1BCR
SCHEMBL31037122 0.82 NQO2 (0.62) NQO2CYP1A2ABL1ABCB1BCR
SCHEMBL677189 0.82 NQO2 (0.62) NQO2CYP1A2ABL1ABCB1BCR
SCHEMBL32660903 0.79 NQO2 (0.54) NQO2CYP1A2ABL1ABCB1BCR
SCHEMBL13534212 0.79 ESR1 (0.43) NQO2CYP1A2ESR2ESR1
SCHEMBL13851152 0.79 NQO2 (0.54) NQO2CYP1A2ESR2ESR1ALOX15
SCHEMBL31048414 0.79 NQO2 (0.54) NQO2CYP1A2ESR2ESR1ALOX15
SCHEMBL22275184 0.79 NQO2 (0.54) NQO2CYP1A2ESR2ESR1
SCHEMBL22275374 0.79 NQO2 (0.54) NQO2ESR2ESR1CYP3A4ALOX15
SCHEMBL27335595 0.79 ESR1 (0.41) NQO2CYP1A2ESR2ESR1CYP3A4

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
CN-118459761-A Allyl naphthalene phenolic oligomer modified bismaleimide resin and preparation method thereof 华东理工大学 2024-08-09 CN disclosed