SCHEMBL6567053

SCHEMBL6567053

COc1ccc(COCC(=O)CC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.52
HTT P42858 2/20 0.51
PLA2G4B P0C869 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
F2RL1 P55085 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
LDHA P00338 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL132700 0.87 HTT (0.51) FFAR1HTTPLA2G4BNPC1RAB9A
SCHEMBL99313 0.86 FFAR1 (0.57) FFAR1HTTPLA2G4BNPC1RAB9A
SCHEMBL6568585 0.83 RXRA (0.45) FFAR1PLA2G4BNPC1RAB9APOLB
SCHEMBL10072105 0.83 HTT (0.50) FFAR1HTTPLA2G4BNPC1RAB9A
SCHEMBL11543183 0.82 HTT (0.50) FFAR1HTTPLA2G4BNPC1RAB9A
SCHEMBL130309 0.82 KMT2A (0.49) HTTPLA2G4BNPC1RAB9APOLB
SCHEMBL4706402 0.81 HTT (0.56) FFAR1HTTPLA2G4BNPC1RAB9A
SCHEMBL1987313 0.81 TSHR (0.52) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL132139 0.81 NPC1 (0.46) HTTPLA2G4BNPC1RAB9APOLB
SCHEMBL127562 0.80 PLA2G4B (0.47) HTTPLA2G4BF2RL1ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277748-B1 Process for producing optically active y-Butyrolactone TAKASAGO PERFUMERY CO LTD (JP) 2004-04-21 EP disclosed
EP-1403262-A1 Process for producing optically active alpha butyrolactone Takasago International Corporation (JP) 2004-03-31 EP disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 EP disclosed