SCHEMBL9870526

SCHEMBL9870526

COC(=O)NC(=O)CC1C(=O)N(C)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NQO2 P16083 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34

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
SCHEMBL9870877 0.91 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL9871624 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL9870662 0.81 LMNA (0.39) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9384033 0.75 ALDH1A1 (0.41) CHRM3ALDH1A1KDM4EHPGDGAA
SCHEMBL9684160 0.72 AKR1B1 (0.42) KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL11788765 0.69 KDM4E (0.38) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL8320575 0.68 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAACASP1
SCHEMBL11789702 0.65 MEN1 (0.52) GAALMNASMN1; SMN2MAPT
SCHEMBL13493020 0.64 CA1 (0.39) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL10153305 0.62 MEN1 (0.46) ALDH1A1GAASMN1; SMN2MAPTCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983613-A Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-08 US claimed
US-4983613-A Acetamides; treatment of neuropathy, nephropathy, retinopathy or cataracts in diabetic mammals AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-08 US disclosed