SCHEMBL7384641

SCHEMBL7384641

N#Cc1cccc(N[C@@H](Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
GPR34 Q9UPC5 1/20 0.54
PPARG P37231 2/20 0.52
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
FOLH1 Q04609 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MME P08473 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 1/20 0.45
KCNA5 P22460 1/20 0.45

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
SCHEMBL21428954 0.85 PPARG (0.52) GPR34PPARGMMEFAAHMMP2
SCHEMBL28809944 0.85 PPARG (0.52) GPR34PPARGMMEFAAHMMP2
SCHEMBL6372114 0.85 LMNA (0.51) LMNAMAPK1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL6372110 0.85 LMNA (0.51) LMNAMAPK1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL1533647 0.81 PPARG (0.58) PPARGFOLH1MMEMMP2MMP9
SCHEMBL6250861 0.81 PPARG (0.58) PPARGFOLH1MMEMMP2MMP9
SCHEMBL1533645 0.81 PPARG (0.58) PPARGFOLH1MMEMMP2MMP9
SCHEMBL6373349 0.81 FPR2 (0.60) LMNAGPR34ALDH1A1MAPTMEN1
SCHEMBL16254307 0.80 LMNA (0.60) LMNAGPR34MAPK1SMN1; SMN2HSD17B10
SCHEMBL5906957 0.79 FPR2 (0.53) LMNAPPARGL3MBTL1HTTALDH1A1

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-6291511-B1 Biarylalkanoic acids as cell adhesion inhibitors MERCK & CO., INC. 2001-09-18 US disclosed
EP-1017382-A4 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2000-08-30 EP disclosed
EP-1017382-A1 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-07-12 EP disclosed
WO-1998053817-A1 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed