SCHEMBL9765052

SCHEMBL9765052

CCCCCCCN(CC(c1ccccc1)c1ccccc1)C(=O)Nc1c(C)cccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.46
ALB P02768 2/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
ASAH1 Q13510 2/20 0.41
ACER2 Q5QJU3 1/20 0.40
TP53 P04637 1/20 0.40
NAAA Q02083 2/20 0.40
EGFR P00533 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL11139267 0.80 MEN1 (0.54) CA12CA1CA2CA9MEN1
SCHEMBL9192201 0.80 ALDH1A1 (0.49) NPSR1ALDH1A1MAPK1EGFRHDAC1
SCHEMBL9765055 0.77 SOAT1 (0.63)
SCHEMBL9765051 0.76 TP53 (0.43) ICMTALBCA12CA1CA2
SCHEMBL26607386 0.74 MAPT (0.53) CA12CA1CA2CA9MEN1
SCHEMBL29052342 0.74 MEN1 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL25276969 0.72 CA12 (0.64) ICMTALBCA12CA1CA2
SCHEMBL9435656 0.72 CA12 (0.64) ICMTALBCA12CA1CA2
SCHEMBL22781563 0.72 MAPT (0.67) ICMTALBMEN1KMT2ANPSR1
SCHEMBL22305952 0.71 MAPT (0.70) ICMTALBMEN1KMT2ANPSR1

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-4994465-A Antihyperlipidemic and antiatherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1991-02-19 US disclosed
EP-0384320-A1 Antihyperlipidemic and anti-atherosclerotic trisubstituted urea compounds WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed