SCHEMBL5640185

SCHEMBL5640185

CCCc1ccc(C(=O)O)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
METAP2 P50579 2/20 0.44
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KAT8 Q9H7Z6 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SORT1 Q99523 1/20 0.39
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
DRD2 P14416 3/20 0.37

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
SCHEMBL465087 0.81 SMN1; SMN2 (0.49) ALDH1A1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL7930838 0.79 ALDH1A1 (0.43) METAP2ALDH1A1POLBKDM4EUSP2
SCHEMBL3963370 0.78 PPARA (0.78) PPARAPPARGMCL1ALDH1A1NPC1
SCHEMBL903987 0.76 KDM4E (0.45) ALDH1A1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL16737197 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL25421342 0.76 PPARA (0.65) PPARAPPARGMCL1ALDH1A1NPC1
SCHEMBL25421082 0.76 PPARA (0.57) PPARAPPARGMETAP2MCL1ALDH1A1
SCHEMBL25421010 0.75 PPARA (0.53) PPARAPPARGMETAP2MCL1ALDH1A1
SCHEMBL3181925 0.75 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EUSP2HPGD
SCHEMBL10674685 0.75 PPARA (0.71) PPARAPPARGALDH1A1KAT8RARB

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
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed