SCHEMBL30491663

SCHEMBL30491663

CCNc1cccc(C(=O)O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
FABP4 P15090 1/20 0.50
CXCR2 P25025 3/20 0.49
CLCN2 P51788 1/20 0.49
CASR P41180 1/20 0.48
ALB P02768 1/20 0.47
MMP2 P08253 1/20 0.47
HMGB1 P09429 1/20 0.45
HNF4A P41235 1/20 0.44
AGTR1 P30556 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
ABCC1 P33527 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 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
SCHEMBL11674545 1.00 KDM4E (0.54) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL184136 0.83 ALDH1A1 (0.62) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7603848 0.82 CNR2 (0.50) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL13073788 0.82 NPC1 (0.53) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL16181442 0.82 FABP4 (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL15668447 0.81 PLK1 (0.51) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL10909628 0.81 FABP4 (0.52) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL5391081 0.81 FABP4 (0.49) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL11526676 0.81 CLCN2 (0.51) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8211190 0.79 KDM4E (0.57) KDM4EALDH1A1LMNASMN1; SMN2HPGD

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-116634988-A C 13 Hydrocarbon mixtures and use thereof 巴斯夫欧洲公司 2023-08-22 CN disclosed