SCHEMBL7310504

SCHEMBL7310504

N[C@](O)(CCC1CCCCC1)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NFE2L2 Q16236 1/20 0.33
BMP1 P13497 1/20 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
SCHEMBL7310511 1.00 ALDH1A1 (0.39) ALDH1A1USP2MAPTHPGDCCNA2
SCHEMBL9555625 0.71 HPGD (0.44) ALDH1A1MAPTHPGDCCNA2CDK2
SCHEMBL7269236 0.70 MAPT (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7269246 0.70 MAPT (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7269517 0.69 MEN1 (0.47) ALDH1A1HPGDMEN1KMT2ANFE2L2
SCHEMBL15130391 0.66 MAPT (0.41) ALDH1A1USP2MAPTHPGD
SCHEMBL9739839 0.65 MAPT (0.37) ALDH1A1USP2MAPTHPGD
SCHEMBL7293215 0.65 METAP1 (0.39) ALDH1A1USP2HPGDMEN1KMT2A
SCHEMBL7275541 0.65 METAP1 (0.39) ALDH1A1USP2HPGDMEN1KMT2A
SCHEMBL9739846 0.65 MAPT (0.37) ALDH1A1USP2MAPTHPGD

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
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed