SCHEMBL9840116

SCHEMBL9840116

CCCCCCCC(Sc1ccc(C(C)(C)C)cc1)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
PAX8 Q06710 1/20 0.46
NAAA Q02083 2/20 0.44
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ADAM17 P78536 1/20 0.43
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
ALOX5 P09917 2/20 0.42
BCHE P06276 2/20 0.41
PPARD Q03181 1/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 1/20 0.40
PTGES O14684 1/20 0.40
ASAH1 Q13510 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 1/20 0.39
REN P00797 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
SCHEMBL8325823 0.75 ALOX5 (0.47) LMNAMMP9MMP13ADAM17PPARG
SCHEMBL8856163 0.74 MMP9 (0.43) LMNAMMP9MMP13ADAM17PPARG
SCHEMBL9430765 0.74 MMP9 (0.42) LMNAMMP9MMP13ADAM17PPARG
SCHEMBL9613945 0.71 ALDH1A1 (0.50) LMNAMMP9PPARGPPARAALOX5
SCHEMBL9696784 0.71 ALDH1A1 (0.50) LMNAMMP9PPARGPPARAALOX5
SCHEMBL8856207 0.71 KDM4E (0.51) MMP9MMP13ADAM17MAPT
SCHEMBL8856229 0.71 KDM4E (0.51) MMP9MMP13ADAM17MAPT
SCHEMBL9099026 0.71 PPARG (0.64) PPARGPPARAALOX5PTGES
SCHEMBL22612343 0.71 PPARG (0.64) PPARGPPARAALOX5PTGES
SCHEMBL9099036 0.71 PPARG (0.64) PPARGPPARAALOX5PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991004027-A1 NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1991-04-04 WO disclosed