SCHEMBL9635368

SCHEMBL9635368

C=CC(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 1/20 0.43
XDH P47989 5/20 0.42
SLC22A12 Q96S37 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38

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
SCHEMBL9636754 0.89 ALDH1A1 (0.43) XDH
SCHEMBL9635349 0.83 ESR1 (0.43) XDHSLC22A12
SCHEMBL9636806 0.80 RXRA (0.46) RXRARXRBRXRGTRIM24TRIM33
SCHEMBL2051393 0.75 XDH (0.50) RXRARXRBXDH
SCHEMBL9635323 0.74 AR (0.38)
SCHEMBL9635272 0.74 RXRA (0.50) RXRARXRBRXRG
SCHEMBL30211966 0.72 ACE2 (0.51) RXRAXDH
SCHEMBL3908449 0.72 ACE2 (0.51) RXRAXDH
SCHEMBL2035204 0.71 KDM4E (0.56) RXRARXRBXDH
SCHEMBL6807171 0.71 RXRA (0.51) RXRARXRB

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