SCHEMBL7568801

SCHEMBL7568801

CCCCOC(=O)NC1=C(C(=O)OC)CCC1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.49
NPC1 O15118 8/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 8/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 2/20 0.41
MCL1 Q07820 1/20 0.40
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL7549362 0.75 ALDH1A1 (0.57) RAB9ANPC1CASP1SMN1; SMN2CYP1A2
SCHEMBL1827277 0.68 RAB9A (0.50) RAB9ANPC1CASP1SMN1; SMN2CYP1A2
SCHEMBL27553475 0.67 RAB9A (0.52) RAB9ANPC1CASP1SMN1; SMN2CYP1A2
SCHEMBL11564363 0.65 TSHR (0.55) SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL13387564 0.65 GAA (0.59) SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4719490 0.65 GAA (0.59) SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7564852 0.65 RAB9A (0.79) RAB9ANPC1CASP1SMN1; SMN2CYP1A2
SCHEMBL994563 0.65 RAB9A (0.55) RAB9ANPC1CASP1SMN1; SMN2CYP1A2
SCHEMBL2903601 0.64 RAB9A (0.51) RAB9ANPC1CASP1SMN1; SMN2CYP1A2
SCHEMBL2906397 0.64 RAB9A (0.51) RAB9ANPC1CASP1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210324-A1 SUBSTITUTED CYCLOPENTENES, THEIR PREPARATION AND THEIR USE FOR CHIRAL SCAFFOLDS Chirotech Technology Limited (GB) 2002-06-05 EP disclosed
WO-2001017952-A1 SUBSTITUTED CYCLOPENTENES, THEIR PREPARATION AND THEIR USE FOR CHIRAL SCAFFOLDS CHIROTECH TECHNOLOGY LIMITED (GB) 2001-03-15 WO disclosed