SCHEMBL9698976

SCHEMBL9698976

CCCc1c(CCC)c(CCC)c(C(=O)O)c(CCC)c1CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.47
LDHB P07195 3/20 0.47
PTPN1 P18031 4/20 0.44
PTPN11 Q06124 3/20 0.44
JUN P05412 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
PTPN2 P17706 2/20 0.34
FFAR3 O14843 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
SCHEMBL797104 0.95 LDHA (0.47) LDHALDHBPTPN1PTPN11JUN
SCHEMBL14989262 0.92 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL30563097 0.92 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL14989214 0.92 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL14989236 0.92 LDHA (0.48) LDHALDHBPTPN1PTPN11JUN
SCHEMBL8092658 0.88 LDHA (0.43) LDHALDHBPTPN1PTPN11JUN
SCHEMBL28608597 0.87 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL22418967 0.86 LDHA (0.48) LDHALDHBPTPN1PTPN11JUN
SCHEMBL5589034 0.84 LDHA (0.57) LDHALDHBPTPN1PTPN11JUN
SCHEMBL29171675 0.83 FFAR1 (0.42) LDHALDHBHCAR2BIDMCL1

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
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed