SCHEMBL10880904

SCHEMBL10880904

COC(=O)CN1CCC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.42
ACE P12821 6/20 0.40
REN P00797 4/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
LTA4H P09960 1/20 0.40
MAPT P10636 1/20 0.40
PEPD P12955 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL8283493 1.00 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHSD17B10CYP2C19RAB9A
Hydrochloric Acid SCHEMBL10877557 0.98 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHSD17B10CYP2C19RAB9A
Hydrochloric Acid SCHEMBL10881267 0.98 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHSD17B10CYP2C19RAB9A
SCHEMBL10878594 0.88 LMNA (0.47) LMNAHSD17B10CYP2C19RAB9AACE
SCHEMBL28686483 0.86 HRH3 (0.37) SMN1; SMN2LMNAHSD17B10CYP2C19LTA4H
SCHEMBL5834128 0.83 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHSD17B10CYP2C19RAB9A
SCHEMBL20814097 0.83 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHSD17B10CYP2C19RAB9A
SCHEMBL19022219 0.82 HSD17B10 (0.47) SMN1; SMN2LMNAHSD17B10CYP2C19RAB9A
SCHEMBL1912615 0.82 HSD17B10 (0.47) SMN1; SMN2LMNAHSD17B10CYP2C19RAB9A
SCHEMBL16817598 0.81 HSD17B10 (0.46) SMN1; SMN2LMNAHSD17B10CYP2C19RAB9A

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-0080283-B1 N-CARBOXYALKYLPROLINE-CONTAINING TRIPEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1986-01-29 EP claimed