SCHEMBL28467375

SCHEMBL28467375

O=C(O)c1cccc(-c2cccc(C(=O)O)c2C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.60
DDT P30046 1/20 0.59
KMO O15229 2/20 0.55
NR1H4 Q96RI1 2/20 0.49
PLA2G2A P14555 1/20 0.49
MAOA P21397 1/20 0.49
BLVRB P30043 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
HNF4A P41235 1/20 0.47
PTGER1 P34995 1/20 0.47
KEAP1 Q14145 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
Isophthalic Acid SCHEMBL14778538 0.92 HNF4A (0.54) FOLH1DDTKMONR1H4PLA2G2A
SCHEMBL7139018 0.89 HNF4A (0.53) FOLH1DDTKMOHNF4APTGER1
SCHEMBL49145 0.88 FOLH1 (0.56) FOLH1DDTKMOPLA2G2ARXRA
SCHEMBL10788188 0.88 FOLH1 (0.47) FOLH1DDTKMONR1H4MAOA
Water SCHEMBL29152927 0.87 KMO (0.57) FOLH1DDTKMONR1H4MAOA
3-Hydroxybenzoic Acid SCHEMBL9444453 0.86 CA12 (0.59) FOLH1DDTKMONR1H4MAOA
SCHEMBL29400093 0.86 KMO (0.63) FOLH1DDTKMONR1H4PLA2G2A
SCHEMBL2947834 0.86 KMO (0.63) FOLH1DDTKMONR1H4PLA2G2A
SCHEMBL28567708 0.85 HNF4A (0.62) FOLH1HNF4A
SCHEMBL671824 0.85 DDT (0.57) FOLH1DDTKMONR1H4PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111729689-A Regeneration method of deactivated hydrogenation catalyst 湖北中超化工科技有限公司 2020-10-02 CN claimed
CN-111729689-A Regeneration method of deactivated hydrogenation catalyst 湖北中超化工科技有限公司 2020-10-02 CN disclosed