SCHEMBL28656372

SCHEMBL28656372

CCCc1c(C)c(C(=O)O)c(C)c(CC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.50
LDHB P07195 4/20 0.50
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
FASN P49327 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
JUN P05412 1/20 0.35
FFAR1 O14842 1/20 0.34
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 1/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL4122794 0.85 LDHA (0.50) LDHALDHBPTPN1PTPN11FASN
SCHEMBL9040916 0.84 LDHA (0.53) LDHALDHBPTPN1PTPN11FASN
SCHEMBL31643874 0.82 FASN (0.39) LDHALDHBPTPN1PTPN11FASN
SCHEMBL19611141 0.81 LDHA (0.50) LDHALDHBPTPN1PTPN11FASN
SCHEMBL5920581 0.79 LDHA (0.45) LDHALDHBPTPN1PTPN11FASN
SCHEMBL28677095 0.78 FASN (0.39) LDHALDHBPTPN1PTPN11FASN
SCHEMBL4117808 0.78 FASN (0.47) LDHALDHBFASNCYP1A2CYP2C19
SCHEMBL5588178 0.77 LDHA (0.54) LDHALDHBPTPN1PTPN11FASN
SCHEMBL5850910 0.77 LDHA (0.54) LDHALDHBPTPN1PTPN11FASN
SCHEMBL5589002 0.77 LDHA (0.54) LDHALDHBPTPN1PTPN11JUN

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-113423683-A Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2021-09-21 CN disclosed