SCHEMBL9872841

SCHEMBL9872841

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nnn(CCCCCCCCCCCCO)n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL9872454 1.00 LMNA (0.45) LMNAPOLBRAB9AMEN1NPC1
SCHEMBL9872303 1.00 LMNA (0.45) LMNAPOLBRAB9AMEN1NPC1
SCHEMBL9114789 0.91 LMNA (0.52) LMNAPOLB
SCHEMBL9873057 0.91 LMNA (0.52) LMNAPOLB
SCHEMBL9873178 0.91 LMNA (0.52) LMNAPOLB
SCHEMBL9873430 0.91 LMNA (0.52) LMNAPOLB
SCHEMBL9113426 0.91 LMNA (0.52) LMNAPOLB
SCHEMBL9873666 0.91 LMNA (0.52) LMNAPOLB
SCHEMBL9872933 0.91 LMNA (0.52) LMNAPOLB
SCHEMBL9873092 0.89 LMNA (0.56) LMNAPOLBRAB9AMEN1NPC1

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-7615230-B2 Topical applying N-benzyl-N'-(2,6-diisopropyl-phenyl)-N-isopropyl-malonamide as ACAT inhibitor to treat oily skin; acylcoenzyme a cholesterol acyltransferase (ACAT) GRACEWAY PHARMACEUTICALS, LLC (US) 2009-11-10 US disclosed
US-7615230-B2 Topical applying N-benzyl-N'-(2,6-diisopropyl-phenyl)-N-isopropyl-malonamide as ACAT inhibitor to treat oily skin; acylcoenzyme a cholesterol acyltransferase (ACAT) GRACEWAY PHARMACEUTICALS, LLC (US) 2009-11-10 US disclosed
US-5073565-A Atherosclerosis, anticholesterol WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
WO-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 WO disclosed