SCHEMBL9635367

SCHEMBL9635367

C=CC(C)c1ccc(C(=O)O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.42
ELANE P08246 1/20 0.41
GRM1 Q13255 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TTR P02766 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
KDM4E B2RXH2 2/20 0.37
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
HPGD P15428 1/20 0.36
RXRA P19793 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL9636806 0.88 RXRA (0.46) ELANEKDM4ERXRA
SCHEMBL8080620 0.81 ACE2 (0.56) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL27825583 0.80 ACE2 (0.46) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL29171910 0.80 ACE2 (0.46) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL30848060 0.80 ACE2 (0.46) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL16742107 0.79 TTR (0.55) ELANETDP1TTRTHRATHRB
SCHEMBL8054469 0.79 ACE2 (0.50) ACE2ELANEGRM1KMT2AMEN1
SCHEMBL10828136 0.79 PTGS2 (0.48) ACE2ELANEGRM1KMT2AMEN1
SCHEMBL31733483 0.78 GRM1 (0.51) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL2438341 0.78 GRM1 (0.51) ACE2GRM1KMT2AMEN1CYP1A2

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