SCHEMBL28837640

SCHEMBL28837640

O=c1c(-c2ccccc2)c(CC2CO2)oc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
PLA2G2A P14555 1/20 0.43
PLA2G4A P47712 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP3A4 P08684 3/20 0.42
CA12 O43570 2/20 0.42
TP53 P04637 2/20 0.42
ABCB1 P08183 2/20 0.42
AR P10275 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CA9 Q16790 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
KMT2A Q03164 2/20 0.42
DDR2 Q16832 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CALM1 P0DP23 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL8733 0.78 CA1 (0.59) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL27501502 0.78 CA1 (0.59) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL8665 0.78 CA1 (0.59) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL27906092 0.77 CA1 (0.49) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL9311 0.75 CA1 (0.56) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL15527966 0.75 CA1 (0.56) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL8612 0.75 CA1 (0.56) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL29268870 0.74 CA1 (0.55) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL15327813 0.74 CA1 (0.55) CA1CA2PLA2G2APLA2G4AMAPT
SCHEMBL9595 0.73 CA1 (0.54) CA1CA2PLA2G2APLA2G4AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115044702-B Quantitative trait loci associated with soybean isoflavone content and uses thereof 河北省农林科学院粮油作物研究所 2025-04-29 CN disclosed
CN-115094159-A Co-localization quantitative trait locus related to soybean isoflavone and protein content and application thereof 河北省农林科学院粮油作物研究所 2022-09-23 CN disclosed
CN-115044702-A Quantitative trait locus related to soybean isoflavone content and application thereof 河北省农林科学院粮油作物研究所 2022-09-13 CN disclosed