SCHEMBL10934286

SCHEMBL10934286

COC(=O)[C@H](Cc1ccccc1)NC1CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
POLB P06746 3/20 0.55
GFER P55789 1/20 0.55
ATM Q13315 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NLRP3 Q96P20 2/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL23201809 0.97 GAA (0.58) GAAPOLBGFERATML3MBTL1
SCHEMBL10935494 0.97 GAA (0.58) GAAPOLBGFERATML3MBTL1
SCHEMBL29069391 0.96 GAA (0.57) GAAPOLBGFERATML3MBTL1
SCHEMBL29069392 0.96 GAA (0.57) GAAPOLBGFERATML3MBTL1
SCHEMBL10481422 0.94 GAA (0.61) GAAPOLBGFERATML3MBTL1
SCHEMBL23201807 0.94 GAA (0.61) GAAPOLBGFERATML3MBTL1
SCHEMBL10933319 0.85 MME (0.54) POLBALDH1A1HSD17B10LMNA
SCHEMBL7258036 0.85 MME (0.54) POLBALDH1A1HSD17B10LMNA
SCHEMBL12678083 0.82 MME (0.54) POLBALDH1A1HSD17B10KDM4ELMNA
SCHEMBL7257313 0.82 MME (0.54) POLBALDH1A1HSD17B10KDM4ELMNA

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-0135429-A1 The synthesis of cyclopropane amino acids and peptides THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-03-27 EP disclosed
WO-1985000809-A1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-02-28 WO disclosed