SCHEMBL30992201

SCHEMBL30992201

C=Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.53
PTPN1 P18031 6/20 0.50
PTPN6 P29350 3/20 0.50
MCL1 Q07820 2/20 0.48
HSD17B10 Q99714 1/20 0.47
HNF4A P41235 4/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCAT2 O15382 1/20 0.42
PTPN2 P17706 2/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
PTGS2 P35354 1/20 0.40
ACMSD Q8TDX5 2/20 0.40
DHFR P00374 1/20 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
SCHEMBL29955759 0.84 FOLH1 (0.54) FOLH1PTPN1PTPN6MCL1HSD17B10
SCHEMBL15331022 0.84 FOLH1 (0.54) FOLH1PTPN1PTPN6MCL1HSD17B10
SCHEMBL29201441 0.83 KCNA3 (0.49) MCL1
SCHEMBL25353879 0.81 HNF4A (0.49) MCL1HNF4ASMN1; SMN2BCAT2LTB4R2
SCHEMBL27912384 0.79 MCL1 (0.44) PTPN1PTPN6MCL1SMN1; SMN2BCAT2
SCHEMBL3757526 0.77 ALDH1A1 (0.48) PTPN1PTPN6MCL1HSD17B10PTGS2
SCHEMBL220169 0.77 MCL1 (0.51) PTPN1PTPN6MCL1HSD17B10HNF4A
SCHEMBL13967662 0.76 PTGS2 (0.45) PTPN1PTPN6MCL1HNF4APTGS2
SCHEMBL593979 0.76 ACMSD (0.66) FOLH1PTPN1MCL1HSD17B10HNF4A
SCHEMBL27490594 0.75 TP53 (0.44) MCL1HNF4ASMN1; SMN2BCAT2

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-118373738-A Method for preparing gamma-aldehyde carboxylic ester by carbon dioxide 常州大学 2024-07-23 CN disclosed