SCHEMBL8205338

SCHEMBL8205338

CCc1ccc(-c2ccc(C(=O)CBr)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.63
PTPN1 P18031 5/20 0.63
ALDH1A1 P00352 2/20 0.53
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PLK1 P53350 1/20 0.48
KDM4E B2RXH2 1/20 0.46
AGTR1 P30556 1/20 0.46
HPGD P15428 1/20 0.46
BCL2 P10415 1/20 0.45
RARB P10826 1/20 0.43

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
SCHEMBL2776629 0.94 GSK3B (0.63) GSK3BPTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL689331 0.85 GSK3B (0.83) GSK3BPTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13815072 0.84 SMN1; SMN2 (0.68) ALDH1A1RXRARXRBMAPTSMN1; SMN2
SCHEMBL13675283 0.82 ALDH1A1 (0.55) ALDH1A1RXRARXRBMAPTSMN1; SMN2
SCHEMBL8205823 0.82 RARB (0.68) GSK3BPTPN1ALDH1A1MAPTPLK1
SCHEMBL15395891 0.82 GSK3B (0.70) GSK3BPTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6510438 0.81 ALDH1A1 (0.53) ALDH1A1RXRARXRBMAPTSMN1; SMN2
SCHEMBL12285881 0.81 ALDH1A1 (0.53) GSK3BALDH1A1RXRARXRBMAPT
SCHEMBL18209648 0.80 GSK3B (0.68) GSK3BPTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8213015 0.80 GSK3B (0.88) GSK3BPTPN1ALDH1A1MAPTSMN1; SMN2

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-1031349-A1 Use of substituted 4-biarylbutyric and 5-biarylpentanoic acid derivatives for the treatment of cerebral diseases Bayer Aktiengesellschaft (DE) 2000-08-30 EP disclosed