SCHEMBL8226969

SCHEMBL8226969

CCc1ccc(C(=O)O)cc1-c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
GFER P55789 2/20 0.44
NPC1 O15118 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
MITF O75030 1/20 0.44
NFKB1 P19838 1/20 0.44
RECQL P46063 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL8228785 0.83 ROCK2 (0.50) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL14972646 0.81 CSNK2A2 (0.54) RXRARXRBALDH1A1KDM4EGAA
SCHEMBL2744088 0.80 SLC22A12 (0.53) RXRARXRBPOLBRARBRARA
SCHEMBL7112789 0.80 GRIK1 (0.56) RXRARXRBALDH1A1KDM4EGAA
SCHEMBL25126172 0.79 RXRA (0.59) RXRARXRBALDH1A1RAB9ANPC1
SCHEMBL10629220 0.78 KDM4E (0.48) RXRARXRBALDH1A1KDM4EGAA
SCHEMBL9003592 0.78 KDM4E (0.48) RXRARXRBALDH1A1KDM4EGAA
SCHEMBL30269683 0.77 GAA (0.61) RXRARXRBALDH1A1KDM4EGAA
SCHEMBL3131960 0.77 GAA (0.61) RXRARXRBALDH1A1KDM4EGAA
SCHEMBL16798167 0.77 RARB (0.57) RXRARXRBALDH1A1KDM4EGAA

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
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed