SCHEMBL9501911

SCHEMBL9501911

CC(C)c1cccc(C(C)C)c1NC(=O)N(C(C)C)C1COc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
MAOB P27338 2/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9501268 0.76 TP53 (0.65) LMNATP53
SCHEMBL9500010 0.70 TP53 (0.52) LMNAKMT2ATP53
SCHEMBL8798173 0.68 TP53 (0.47) ALDH1A1LMNAKMT2ATP53SMN1; SMN2
SCHEMBL9599077 0.67 TP53 (0.43) LMNATP53MAOB
SCHEMBL20540474 0.65 KMT2A (0.57) LMNAKMT2ASMN1; SMN2
SCHEMBL4731555 0.65 TP53 (0.38) ALDH1A1LMNAKMT2ATP53
SCHEMBL28149605 0.64 TP53 (0.43) TP53MAOB
SCHEMBL9597211 0.64 ALOX5 (0.46) TP53MAOB
SCHEMBL8800082 0.63 KMT2A (0.55) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL18286810 0.63 NISCH (0.45) TP53MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP claimed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 US claimed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP claimed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed
US-5030653-A N-2,6-dialkyl- or n-2,6-dialkoxyphenyl-n-arylalkylurea compounds WARNER-LAMBERT COMPANY (US) 1991-07-09 US disclosed
US-4999373-A Phenyl ureas or thioureas substituted with a xanthene or thioxanthene group WARNER-LAMBERT COMPANY (US) 1991-03-12 US disclosed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 US disclosed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 EP disclosed
US-4868210-A PHENYL UREAS AND PHENYL THIOUREAS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed