SCHEMBL16775436

SCHEMBL16775436

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.49
RXRB P28702 5/20 0.49
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
ADH5 P11766 5/20 0.42
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RXRG P48443 2/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL186326 0.90 BCL2L1 (0.51) RXRARXRBBCL2L1BADADH5
SCHEMBL16775452 0.86 KMO (0.43) RXRARXRBKDM4ELMNAHSD17B10
SCHEMBL16775451 0.85 RXRA (0.50) RXRARXRBADH5HPGDALDH1A1
SCHEMBL182330 0.81 TUBB4A (0.48) RXRARXRBADH5KDM4EHSD17B10
SCHEMBL182600 0.81 BCL2L1 (0.47) BCL2L1BADADH5KDM4ELMNA
SCHEMBL182280 0.80 ADH5 (0.55) RXRARXRBADH5KDM4ELMNA
SCHEMBL2710630 0.80 BCL2L1 (0.62) RXRARXRBBCL2L1BADADH5
SCHEMBL180989 0.79 ADH5 (0.48) RXRARXRBBCL2L1BADADH5
SCHEMBL10195813 0.78 ADH5 (0.63) RXRARXRBBCL2L1BADADH5
SCHEMBL10194664 0.77 RXRA (0.62) RXRARXRBBCL2L1BADADH5

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