SCHEMBL6168908

SCHEMBL6168908

C=CC1CN(C(=O)OCCCC)CCC1CCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP13 P45452 3/20 0.35
MMP3 P08254 2/20 0.35
MMP9 P14780 2/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
P2RY12 Q9H244 4/20 0.32

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
SCHEMBL3631919 0.81 ALDH1A1 (0.35) LMNASMN1; SMN2TSHRGAAALDH1A1
SCHEMBL427722 0.81 EPHX1 (0.38) HPGDALDH1A1PDE4B
SCHEMBL13174526 0.75 LMNA (0.38) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL9286227 0.75 SMN1; SMN2 (0.49) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL4470764 0.72 CHRM2 (0.48) LMNAPOLBSMN1; SMN2CHRM2CHRM1
SCHEMBL13173647 0.71 LMNA (0.38) LMNAPOLBSMN1; SMN2CHRM2CHRM1
SCHEMBL29480883 0.70 LMNA (0.52) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL29480884 0.70 LMNA (0.52) LMNAPOLBSMN1; SMN2MMP13MMP3
SCHEMBL6977617 0.69 MEN1 (0.39) HPGDALDH1A1
SCHEMBL5186931 0.69 MEN1 (0.39) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542988-A1 PIPERIDINE QUINOLYL PROPYL DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2005-06-22 EP disclosed
WO-2004024712-A1 PIPERIDINE QUINOLYL PROPYL DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2004-03-25 WO disclosed