SCHEMBL6658096

SCHEMBL6658096

CC(=O)CC(Cl)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
FFAR1 O14842 4/20 0.55
ALOX5 P09917 2/20 0.53
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
ACACB O00763 1/20 0.52
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
PARP10 Q53GL7 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49

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
SCHEMBL28293597 0.80 ACACB (0.48) ACACBPARP10LMNACYP1A2
SCHEMBL4729080 0.79 ALDH1A1 (0.50) LMNA
SCHEMBL2023883 0.78 LMNA (0.58) MAOBALOX5NR4A1NR4A2NR4A3
SCHEMBL4730380 0.78 L3MBTL1 (0.49) FFAR1LMNA
SCHEMBL27733432 0.78 NR4A1 (0.57) MAOBFFAR1ALOX5NR4A1NR4A2
SCHEMBL5390077 0.77 ALOX5 (0.56) MAOBFFAR1ALOX5NR4A1NR4A2
SCHEMBL3251101 0.77 LTA4H (0.57) MAOBFFAR1ALOX5NR4A1NR4A2
SCHEMBL20425306 0.77 MAOB (0.70) MAOBFFAR1ALOX5NR4A1NR4A2
SCHEMBL28045714 0.77 MAOB (0.60) MAOBFFAR1ALOX5NR4A1NR4A2
SCHEMBL8162876 0.77 FFAR1 (0.67) MAOBFFAR1ALOX5NR4A1NR4A2

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-2004012663-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO disclosed