SCHEMBL7792874

SCHEMBL7792874

COc1ccccc1C(C)=C(C#N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP19A1 P11511 1/20 0.48
STAT3 P40763 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 2/20 0.45
CTSD P07339 1/20 0.45
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4543403 0.86 CTSD (0.47) LMNACYP19A1STAT3NPC1RAB9A
SCHEMBL1554328 0.81 SMN1; SMN2 (0.52) LMNAKDM4EPKMKMT2ACYP19A1
SCHEMBL1554326 0.81 SMN1; SMN2 (0.52) LMNAKDM4EPKMKMT2ACYP19A1
SCHEMBL11332765 0.81 RAB9A (0.49) LMNAKDM4EPKMKMT2ASTAT3
SCHEMBL11332767 0.81 RAB9A (0.49) LMNAKDM4EPKMKMT2ASTAT3
SCHEMBL29119463 0.80 ALDH1A1 (0.50) LMNAKDM4EPKMCA12CA1
SCHEMBL29119392 0.79 HPGD (0.47) LMNAKDM4EKMT2ACA12CA1
SCHEMBL8527732 0.78 CTSD (0.43) LMNAKDM4EPKMKMT2ACYP19A1
SCHEMBL7308873 0.78 CTSD (0.43) LMNAKDM4EPKMKMT2ACYP19A1
SCHEMBL7651534 0.77 ALDH1A1 (0.48) LMNAKDM4ECYP19A1NPC1RAB9A

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-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed