SCHEMBL16369583

SCHEMBL16369583

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CCC(=O)O)CC3)cc2)c(CF)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CAPN1 P07384 3/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL16372048 0.93 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2CAPN1
SCHEMBL16369475 0.92 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL764478 0.86 PPARA (0.41) LMNAL3MBTL1
SCHEMBL16369484 0.81 DDR2 (0.41) L3MBTL1ALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL765833 0.79 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL765547 0.79 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL764439 0.79 L3MBTL1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2POLB
SCHEMBL758301 0.79 EPHX2 (0.41) L3MBTL1ALDH1A1POLB
SCHEMBL765102 0.78 L3MBTL1 (0.39) L3MBTL1ALDH1A1POLB
SCHEMBL764502 0.77 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2POLB

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
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed