SCHEMBL28864618

SCHEMBL28864618

O=C(CNN1CCC[C@H]1C(=O)O)ON1CCC[C@H]1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
ACE P12821 8/20 0.34
REN P00797 4/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F2 P00734 1/20 0.33
LTA4H P09960 1/20 0.33
MAPT P10636 1/20 0.33
PEPD P12955 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2A P28223 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH1 P35367 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
MVD P53602 2/20 0.32

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
SCHEMBL2678393 0.79 ACE (0.41) RAB9AACERENLMNAHSD17B10
SCHEMBL22175770 0.79 ACE (0.41) RAB9AACERENLMNAHSD17B10
SCHEMBL28683886 0.78 RAB9A (0.40) RAB9AACERENLMNAHSD17B10
SCHEMBL27889361 0.73 ACE (0.44) RAB9AACERENLMNAHSD17B10
SCHEMBL27682627 0.71 RAB9A (0.41) RAB9AACERENLMNAHSD17B10
SCHEMBL31205705 0.71 RAB9A (0.41) RAB9AACERENLMNAHSD17B10
SCHEMBL28323878 0.70 ACE (0.40) RAB9AACERENLMNAHSD17B10
SCHEMBL28209840 0.70 ACE (0.45) RAB9AACERENLMNAHSD17B10
SCHEMBL19521446 0.69 ACE (0.39) RAB9AACERENLMNAHSD17B10
SCHEMBL19521447 0.69 ACE (0.39) RAB9AACERENLMNAHSD17B10

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
CN-108484935-A Thermal stimulus responds collagen type interpenetrating networks gel and preparation method thereof 上海大学 2018-09-04 CN disclosed