SCHEMBL9636754

SCHEMBL9636754

C=CC(C)c1ccc(C(=O)O)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
ACE2 Q9BYF1 4/20 0.39
ELANE P08246 1/20 0.39
GRM1 Q13255 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
XDH P47989 2/20 0.37

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
SCHEMBL9635368 0.89 RXRA (0.43) XDH
SCHEMBL3908449 0.83 ACE2 (0.51) ALDH1A1HPGDACE2GRM1MEN1
SCHEMBL30211966 0.83 ACE2 (0.51) ALDH1A1HPGDACE2GRM1MEN1
SCHEMBL9635323 0.78 AR (0.38) MEN1KMT2A
SCHEMBL9635367 0.77 ACE2 (0.42) HPGDACE2ELANEGRM1MEN1
SCHEMBL22747128 0.76 ALDH1A1 (0.44) ALDH1A1HPGDACE2GRM1MEN1
SCHEMBL29974769 0.76 ALDH1A1 (0.44) ALDH1A1HPGDACE2GRM1MEN1
SCHEMBL10828136 0.75 PTGS2 (0.48) ACE2ELANEGRM1MEN1CYP1A2
SCHEMBL8054469 0.75 ACE2 (0.50) ALDH1A1ACE2ELANEGRM1MEN1
SCHEMBL9635349 0.73 ESR1 (0.43) MEN1KMT2AXDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283326-B1 LIQUID CRYSTAL COMPOUNDS WITH 4-(OPTICALLY ACTIVE ALKYL)-3-CYANOPHENYL GROUPS Chisso Corporation (JP) 1992-06-24 EP disclosed
US-4913838-A LARGE SPONTANEOUS POLARIZATION VALUE CHISSO CORPORATION (JP) 1990-04-03 US disclosed