SCHEMBL4560650

SCHEMBL4560650

CCC(O)C(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
DPP7 Q9UHL4 2/20 0.41
EPHX2 P34913 2/20 0.39
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL4618200 0.98 MMP1 (0.41) MMP1MMP2MMP8L3MBTL1MEN1
SCHEMBL4616011 0.98 MMP1 (0.41) MMP1MMP2MMP8L3MBTL1MEN1
SCHEMBL8489074 0.83 L3MBTL1 (0.44) MMP1MMP2MMP8L3MBTL1MEN1
SCHEMBL8487636 0.81 L3MBTL1 (0.42) MMP1MMP2MMP8L3MBTL1MEN1
SCHEMBL29782266 0.80 RBP4 (0.43) MMP1MMP2MMP8L3MBTL1MEN1
SCHEMBL12196226 0.79 CYP3A4 (0.50) L3MBTL1MEN1KMT2AALDH1A1HTT
SCHEMBL3549864 0.79 CYP2C19 (0.36) ALDH1A1DPP7EPHX2DPP4
SCHEMBL3544356 0.79 CYP2C19 (0.36) ALDH1A1DPP7EPHX2DPP4
SCHEMBL8483745 0.79 CYP3A4 (0.50) L3MBTL1MEN1KMT2AALDH1A1HTT
SCHEMBL5479224 0.79 CYP3A4 (0.50) L3MBTL1MEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009157006-A1 PROCESS OF PREPARING EBASTINE MICRO LABS LIMITED (IN) 2009-12-30 WO disclosed
US-5958837-A 2-(PHENYLMETHOXY OR CARBONYLOXY-(1,4-PHENYLENE)-),3-HALO,5-HALOALKYLPYRIDINES; HERBICIDES EFFECTING DESICCATION AND DEFOLIATION OF PLANTS; GOOD ACTIVITY AND BETTER TAILORED CONTROL OF WEEDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-28 US disclosed
EP-0802904-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 1998-09-09 EP disclosed
EP-0802904-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-29 EP disclosed
WO-1996021647-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed