SCHEMBL11432168

SCHEMBL11432168

CCOC(=O)CC1NC(=O)N(C(=O)c2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 2/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL29135333 0.74 POLB (0.38) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4421212 0.72 CYP1A2 (0.51) CYP1A2KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL5241487 0.71 OPRK1 (0.55) CYP1A2GAA
SCHEMBL27893371 0.71 OPRK1 (0.55) CYP1A2GAA
SCHEMBL6879503 0.71 CYP1A2 (0.47) CYP1A2KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL5241482 0.71 OPRK1 (0.55) CYP1A2GAA
SCHEMBL12794449 0.70 CYP1A2 (0.56) CYP1A2KMT2ASMN1; SMN2TSHRHSD17B10
SCHEMBL8544211 0.68 ACHE (0.56) KMT2AALDH1A1L3MBTL1GAA
SCHEMBL7426368 0.68 CYP1A2 (1.00) CYP1A2KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL4421203 0.68 ALDH1A1 (0.62) CYP1A2KMT2ASMN1; SMN2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4240920-A A SURFACTANT, A PEROXY BLEACH AND A PORPHINE BLEACH THE PROCTER & GAMBLE COMPANY (US) 1980-12-23 US disclosed
EP-0003861-A1 Detergent bleach composition and process for removing stains from cotton fabrics THE PROCTER & GAMBLE COMPANY (US) 1979-09-05 EP disclosed
US-4003841-A Coated stabilized bleach activators, process and washing compositions HENKEL & CIE G.M.B.H. (DT) 1977-01-18 US disclosed
US-3975280-A Storage-stable, readily-soluble detergent additives, coating compositions and process HENKEL & CIE G.M.B.H. (DT) 1976-08-17 US disclosed