SCHEMBL9217062

SCHEMBL9217062

COc1ccc(C[C@H](CC(=O)N(C)Cc2ccccc2)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
IL6ST P40189 2/20 0.49
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
TACR1 P25103 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.39
ACHE P22303 1/20 0.38
AGTR2 P50052 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B2 P37059 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL9217065 1.00 TDP1 (0.49) TDP1IL6STMAPK1SMN1; SMN2TACR1
SCHEMBL9217060 1.00 TDP1 (0.49) TDP1IL6STMAPK1SMN1; SMN2TACR1
SCHEMBL9216981 0.93 IL6ST (0.55) TDP1IL6STALDH1A1FAAH
SCHEMBL7268237 0.93 IL6ST (0.55) TDP1IL6STALDH1A1FAAH
SCHEMBL9216987 0.93 IL6ST (0.55) TDP1IL6STALDH1A1FAAH
SCHEMBL7268241 0.93 IL6ST (0.55) TDP1IL6STALDH1A1FAAH
SCHEMBL7272206 0.82 IL6ST (0.48) IL6STMAPK1TACR1
SCHEMBL9739731 0.80 IL6ST (0.59) IL6ST
SCHEMBL9739729 0.80 IL6ST (0.59) IL6ST
SCHEMBL9220378 0.79 KMT2A (0.45) IL6STSMN1; SMN2ALDH1A1MAPT

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