SCHEMBL9219299

SCHEMBL9219299

COc1ccc(CC(CC(=O)N2CCN(C)CC2)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
MMP1 P03956 1/20 0.52
LDHA P00338 1/20 0.51
KMT2A Q03164 2/20 0.50
CACNA2D1 P54289 2/20 0.48
CACNA1B Q00975 2/20 0.48
CACNB1 Q02641 2/20 0.48
CACNA1C Q13936 2/20 0.48
CACNA1G O43497 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.46
PTGS2 P35354 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9219304 1.00 MAPT (0.64) MAPTSMN1; SMN2POLBPKMMMP1
Hydrochloric Acid SCHEMBL7269708 0.99 MAPT (0.62) MAPTSMN1; SMN2POLBPKMMMP1
SCHEMBL7268138 0.89 KMT2A (0.56) MAPTSMN1; SMN2POLBPKMLDHA
SCHEMBL7268142 0.89 KMT2A (0.56) MAPTSMN1; SMN2POLBPKMLDHA
SCHEMBL7269161 0.86 FKBP1A (0.62) MAPTSMN1; SMN2POLBPKMLDHA
SCHEMBL7269160 0.86 FKBP1A (0.62) MAPTSMN1; SMN2POLBPKMLDHA
SCHEMBL9832234 0.86 FKBP1A (0.62) MAPTSMN1; SMN2POLBPKMLDHA
SCHEMBL7278526 0.85 HSD17B10 (0.59) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL7349517 0.85 HSD17B10 (0.59) CACNA2D1CACNA1BCACNB1CACNA1C
Hydrochloric Acid SCHEMBL7278911 0.84 MAPT (0.54) MAPTSMN1; SMN2POLBPKMMMP1

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-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed