SCHEMBL9668382

SCHEMBL9668382

NC(=O)C=Cc1ccc2c(c1O)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.44
PELI1 Q96FA3 2/20 0.39
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PTPN1 P18031 2/20 0.35
NQO1 P15559 2/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ESR1 P03372 1/20 0.32
IAPP P10997 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL8830527 0.86 CTRC (0.45) CTRCBCL2L1BADPTPN1NQO1
SCHEMBL8830529 0.86 CTRC (0.45) CTRCBCL2L1BADPTPN1NQO1
SCHEMBL6682317 0.76 CTRC (0.50) CTRCBCL2L1BADNQO1GRIA1
SCHEMBL836449 0.73 CTRC (0.47) CTRCBCL2L1BADNQO1GRIA1
SCHEMBL29442687 0.73 CTRC (0.47) CTRCBCL2L1BADNQO1GRIA1
SCHEMBL8830364 0.73 EGFR (0.48) CTRC
SCHEMBL8830363 0.73 EGFR (0.48) CTRC
SCHEMBL368712 0.71 BCL2L1 (0.41) CTRCBCL2L1BADNQO1GRIA1
SCHEMBL8830401 0.68 EGFR (0.47) CTRC
SCHEMBL8830404 0.68 EGFR (0.47) CTRC

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-0470221-A1 NEW ARYL- AND HETEROARYLETHENYLENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-02-12 EP disclosed