SCHEMBL9640319

SCHEMBL9640319

Cc1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 8/20 0.68
SOAT2 O75908 1/20 0.68
ACAT1 P24752 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
NMBR P28336 1/20 0.54
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL9640371 0.99 SOAT1 (0.67) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9200734 0.93 SOAT1 (0.77) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9641246 0.92 SOAT1 (0.76) SOAT1SOAT2ACAT1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL20591099 0.92 SOAT1 (0.76) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9818653 0.91 SOAT1 (0.73) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9640397 0.89 TP53 (0.65) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9818696 0.88 SOAT1 (0.69) SOAT1SOAT2ACAT1NMBR
SCHEMBL9641050 0.88 TP53 (0.64) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9641191 0.88 SOAT1 (0.67) SOAT1SOAT2ACAT1SMN1; SMN2TP53
SCHEMBL9640381 0.87 SOAT1 (0.66) SOAT1SOAT2ACAT1SMN1; SMN2TP53

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
EP-0293880-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC UREA COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-08-26 EP claimed
EP-0293880-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC UREA COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-08-26 EP disclosed
US-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US disclosed
EP-0293880-A1 Antihyperlipidemic and antiatherosclerotic urea compounds WARNER-LAMBERT COMPANY (US) 1988-12-07 EP disclosed