SCHEMBL7700463

SCHEMBL7700463

CCCCCOc1ccc2c(c1)cc(C(=O)OCC)n2C(C)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
PPARG P37231 1/20 0.37
PLA2G4A P47712 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CASR P41180 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ELANE P08246 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL7246845 0.86 POLB (0.38) MAOATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL7247092 0.83 TSHR (0.40) MAOATSHRMAPK1SMN1; SMN2LMNA
SCHEMBL7700461 0.78 PLA2G4A (0.47) MAOAPPARGPLA2G4ASMN1; SMN2
SCHEMBL18733285 0.71 PLA2G4A (0.58) MAOAPLA2G4A
SCHEMBL7247632 0.70 SRD5A2 (0.40) SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL6514090 0.70 MAOA (0.47) MAOAPLA2G4ANPC1LMNARAB9A
SCHEMBL16894501 0.70 MAOA (0.59) MAOAPLA2G4ASMN1; SMN2LMNAHSD17B10
SCHEMBL18733283 0.69 PLA2G4A (0.47) MAOAPLA2G4ATSHRHSD17B10
SCHEMBL1553259 0.68 SRD5A2 (0.58) MAOAPPARGNPC1LMNARAB9A
SCHEMBL92665 0.67 KMT2A (0.47) MAOAMAPK1SMN1; SMN2NPC1LMNA

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
WO-2002000620-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-03 WO disclosed