SCHEMBL31014273

SCHEMBL31014273

Nc1ccc(C(=O)O)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
GFER P55789 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
IKBKB O14920 1/20 0.43
WDR5 P61964 1/20 0.43
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HNF4A P41235 2/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
POLB P06746 3/20 0.41
ALOX15 P16050 1/20 0.41
FABP4 P15090 1/20 0.41
MAPT P10636 3/20 0.40
THRB P10828 3/20 0.40

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
SCHEMBL27740047 0.85 KMT2A (0.46) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL30395913 0.84 WDR5 (0.48) KDM4EGFERWDR5ALDH1A1HPGD
SCHEMBL6755748 0.84 WDR5 (0.48) KDM4EGFERWDR5ALDH1A1HPGD
SCHEMBL3884497 0.83 KMT2A (0.47) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL7607474 0.81 ALDH1A1 (0.42) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL630046 0.80 FABP4 (0.46) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL29964140 0.80 KEAP1 (0.46) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL27373332 0.80 IDO1 (0.46) KMT2AKDM4EGFERRXFP1IKBKB
SCHEMBL332581 0.80 ALDH1A1 (0.57) KDM4EGFERWDR5ALDH1A1HPGD
SCHEMBL995362 0.79 HNF4A (0.52) KMT2AKDM4EWDR5ALDH1A1MEN1

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-118496121-A Oviduct contrast agent and preparation method and application thereof 天津医科大学朱宪彝纪念医院(天津医科大学代谢病医院、天津代谢病防治中心) 2024-08-16 CN disclosed