SCHEMBL17635784

SCHEMBL17635784

CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)N=O)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.44
RARB P10826 5/20 0.44
RARG P13631 5/20 0.44
RXRA P19793 6/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HTT P42858 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP26A1 O43174 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
KLKB1 P03952 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL14159842 0.90 RARB (0.47) RARARARBRARGRXRARXRB
Palovarotene SCHEMBL29354070 0.90 RARB (0.57) RARARARBRARGRXRARXRB
Palovarotene SCHEMBL4658931 0.90 RARB (0.57) RARARARBRARGRXRARXRB
Palovarotene SCHEMBL4668028 0.90 RARB (0.57) RARARARBRARGRXRARXRB
SCHEMBL14159856 0.89 RARA (0.46) RARARARBRARGRXRARXRB
SCHEMBL4666954 0.87 RARA (0.44) RARARARBRARGRXRARXRB
SCHEMBL14159839 0.86 RARB (0.44) RARARARBRARGRXRARXRB
SCHEMBL14159872 0.85 RARA (0.42) RARARARBRARGRXRARXRB
SCHEMBL14376644 0.84 RARA (0.41) RARARARBRARGRXRARXRB
SCHEMBL4666953 0.83 RARA (0.48) RARARARBRARGRXRARXRB

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
EP-3000466-A1 INHIBITOR FOR RETINOCHOROIDAL DISORDERS Yamaguchi University (JP) 2016-03-30 EP disclosed