SCHEMBL9559148

SCHEMBL9559148

CCC(C(=O)O)C(NC(=O)CCC(=O)Nc1ccc(CN)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
RAB9A P51151 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL7353190 0.83 POLB (0.42) MAPTALDH1A1HPGDITGB3ITGA2B
SCHEMBL8072019 0.73 ITGB3 (0.47) MAPTALDH1A1HPGDITGB3ITGA2B
SCHEMBL13046514 0.71 POLB (0.74) MAPTALDH1A1ITGB3ITGA2BSMN1; SMN2
SCHEMBL27927732 0.71 TP53 (0.68) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5879632 0.70 MAPT (0.75) MAPTRAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL1189878 0.68 CA12 (0.59) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7346582 0.68 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL27507480 0.67 EPHX2 (0.73) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24822408 0.67 KMT2A (0.70) MAPTALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1138831 0.67 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2L3MBTL1

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-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed