SCHEMBL7368150

SCHEMBL7368150

C=CCOC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.36
PIN1 Q13526 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
CASP1 P29466 1/20 0.34
HPRT1 P00492 1/20 0.34
CYP26A1 O43174 1/20 0.34
GSTO1 P78417 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7365265 0.84 MAPT (0.39) MMP8PIN1CYP3A4MEN1KMT2A
SCHEMBL12226103 0.80 TDP1 (0.48) MMP8PIN1NPC1TSHRLMNA
SCHEMBL12226100 0.79 MMP8 (0.43) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL16291475 0.78 MMP8 (0.42) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL1774142 0.72 PPARA (0.50) SMN1; SMN2MEN1KMT2AATMALDH1A1
SCHEMBL9989812 0.72 PPARA (0.50) SMN1; SMN2MEN1KMT2AATMALDH1A1
SCHEMBL9990116 0.71 CHRM3 (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL9990118 0.71 CHRM3 (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL9300028 0.71 CYP3A4 (0.39) SMN1; SMN2CYP3A4ALDH1A1TSHRCASP1
SCHEMBL9299497 0.71 CYP3A4 (0.39) SMN1; SMN2CYP3A4ALDH1A1TSHRCASP1

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-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed