SCHEMBL1936121

SCHEMBL1936121

NC(=O)OCCc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MET P08581 3/20 0.47
CA1 P00915 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
AKR1B10 O60218 3/20 0.41
AKR1B1 P15121 3/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
APP P05067 2/20 0.40

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
SCHEMBL18740335 0.84 LMNA (0.51) LMNAMETCA1CA12CA4
SCHEMBL16800184 0.82 MET (0.47) LMNAMETCA1CA12CA4
SCHEMBL22322104 0.81 ALDH5A1 (0.45) LMNACA12CA4CA6CA5A
SCHEMBL3235233 0.79 NPC1 (0.57) LMNAMETCA1CA12CA4
SCHEMBL1936079 0.79 LMNA (0.55) LMNAMETCA1CA12CA4
SCHEMBL8758151 0.79 MET (0.56) LMNAMETCA1CA12CA4
SCHEMBL1935374 0.78 MET (0.44) LMNAMETCA1CA12CA4
SCHEMBL15650450 0.78 LMNA (0.53) LMNAMAOBALDH1A1MAPTKMT2A
SCHEMBL16244411 0.78 LMNA (0.53) LMNACA1PARP10MAOBALDH1A1
SCHEMBL6552773 0.78 LMNA (0.53) LMNAMETCA1CA12CA4

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 3 patents. 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
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed