SCHEMBL7269246

SCHEMBL7269246

CC(C)CC[C@](N)(O)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALOX5 P09917 1/20 0.32
CYP2C19 P33261 2/20 0.31
NPC1 O15118 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7269236 1.00 MAPT (0.41) MAPTALOX5CYP2C19NPC1HTT
SCHEMBL9442571 0.70
SCHEMBL7310511 0.70 ALDH1A1 (0.39) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL7310504 0.70 ALDH1A1 (0.39) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL7288246 0.68 NPC1 (0.41) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL7277251 0.68 CHRM3 (0.38) ALOX5CYP2C19NPC1RAB9AHPGD
SCHEMBL27609999 0.68
SCHEMBL6609230 0.67 MAPT (0.49) MAPTALOX5CYP2C19NPC1RAB9A
SCHEMBL17616424 0.67 MAPT (0.49) MAPTALOX5CYP2C19NPC1RAB9A
SCHEMBL6627141 0.67 MAPT (0.41) MAPTALOX5CYP2C19

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-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed