SCHEMBL16775451

SCHEMBL16775451

Cc1cc(Cl)cc(-n2ccc(-c3ccc(C(=O)O)cc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.50
RXRB P28702 5/20 0.50
ADH5 P11766 7/20 0.43
SUV39H2 Q9H5I1 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
RXRG P48443 1/20 0.37
SRD5A2 P31213 1/20 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
SCHEMBL10194664 0.90 RXRA (0.62) RXRARXRBADH5ALOX15TSHR
SCHEMBL16775454 0.86 RXRA (0.54) RXRARXRBALOX15ALDH1A1
SCHEMBL16775436 0.85 RXRA (0.49) RXRARXRBADH5ALDH1A1SMN1; SMN2
SCHEMBL182330 0.82 TUBB4A (0.48) RXRARXRBADH5ALOX15ALDH1A1
SCHEMBL182280 0.81 ADH5 (0.55) RXRARXRBADH5ALDH1A1SMN1; SMN2
SCHEMBL182188 0.81 ADH5 (0.55) RXRARXRBADH5ALOX15TSHR
SCHEMBL182269 0.81 RXRA (0.49) RXRARXRBADH5RXRGSRD5A2
SCHEMBL10195813 0.79 ADH5 (0.63) RXRARXRBADH5TSHRRXRG
SCHEMBL16775440 0.78 ADH5 (0.54) RXRARXRBADH5ALDH1A1HPGD
SCHEMBL186326 0.77 BCL2L1 (0.51) RXRARXRBADH5RXRG

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
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed