SCHEMBL29178448

SCHEMBL29178448

CCCCCCCCCC(=O)c1cc(O)c(C)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.59
PLA2G2A P14555 2/20 0.57
PLA2G5 P39877 2/20 0.57
FFAR1 O14842 1/20 0.57
ELANE P08246 2/20 0.55
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
CA2 P00918 1/20 0.51
STS P08842 4/20 0.48

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
SCHEMBL10351383 0.87 PLA2G2A (0.64) HSD17B3PLA2G2APLA2G5FFAR1ELANE
SCHEMBL29178478 0.87 PLA2G2A (0.64) HSD17B3PLA2G2APLA2G5FFAR1ELANE
SCHEMBL23043728 0.87 PLA2G2A (0.64) HSD17B3PLA2G2APLA2G5FFAR1ELANE
SCHEMBL29178450 0.84 HSD17B3 (0.57) HSD17B3PLA2G2APLA2G5FFAR1ELANE
SCHEMBL14900694 0.81 HSD17B3 (0.68) HSD17B3PLA2G2APLA2G5FFAR1HTT
SCHEMBL5570402 0.81 HSD17B3 (0.58) HSD17B3PLA2G2APLA2G5FFAR1HTT
SCHEMBL27318923 0.81 HSD17B3 (0.63) HSD17B3PLA2G2APLA2G5FFAR1ELANE
SCHEMBL10489570 0.81 HSD17B3 (0.67) HSD17B3PLA2G2APLA2G5FFAR1HTT
SCHEMBL5677489 0.81 HSD17B3 (0.67) HSD17B3PLA2G2APLA2G5FFAR1HTT
SCHEMBL10353159 0.81 HSD17B3 (0.67) HSD17B3PLA2G2APLA2G5FFAR1HTT

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-117736081-A Preparation method of polysubstituted phenyl Nur77 receptor modulator and application of polysubstituted phenyl Nur77 receptor modulator in anti-fibrosis aspect 厦门大学 2024-03-22 CN disclosed