SCHEMBL1936079

SCHEMBL1936079

NC(=O)OCCc1ccc(CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
CA1 P00915 7/20 0.44
CA12 O43570 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
MET P08581 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL3235233 0.84 NPC1 (0.57) LMNACA1CA12CA4CA6
SCHEMBL8758151 0.84 MET (0.56) LMNACA1CA12CA4CA6
SCHEMBL28462539 0.83 PARP10 (0.46) LMNAL3MBTL1PRSS1MAPT
SCHEMBL6552773 0.82 LMNA (0.53) LMNACA1CA12CA4CA6
SCHEMBL5703716 0.82 LMNA (0.53) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16244411 0.82 LMNA (0.53) LMNACA1NPC1RAB9ASMN1; SMN2
SCHEMBL16244405 0.82 LMNA (0.53) LMNACA1NPC1RAB9ASMN1; SMN2
SCHEMBL15650450 0.82 LMNA (0.53) LMNAALDH1A1L3MBTL1MAPTMAOB
Phenylethyl Carbamate SCHEMBL111316 0.82 LMNA (0.79) LMNACA1CA9HCAR2NPC1
SCHEMBL18740335 0.81 LMNA (0.51) LMNACA1CA12CA4CA6

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
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed