SCHEMBL8746671

SCHEMBL8746671

C/C(=C\c1ccccc1/C=C(\C)C(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.68
APEX1 P27695 8/20 0.50
HTT P42858 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
NR4A2 P43354 1/20 0.45
RXRG P48443 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL31666241 1.00 AKR1C3 (0.68) AKR1C3APEX1HTTRXRARXRB
SCHEMBL3893886 1.00 AKR1C3 (0.68) AKR1C3APEX1HTTRXRARXRB
SCHEMBL7525200 0.92 AKR1C3 (0.59) AKR1C3APEX1HTTRXRARXRB
SCHEMBL8416364 0.92 AKR1C3 (0.59) AKR1C3APEX1HTTRXRARXRB
SCHEMBL28588058 0.90 AKR1C3 (0.57) AKR1C3APEX1HTTRXRARXRB
SCHEMBL14040079 0.90 AKR1C3 (0.57) AKR1C3APEX1HTTRXRARXRB
SCHEMBL7764991 0.89 AKR1C3 (0.61) AKR1C3APEX1HTTRXRARXRB
SCHEMBL7764986 0.89 AKR1C3 (0.61) AKR1C3APEX1HTTRXRARXRB
SCHEMBL208434 0.87 AKR1C3 (0.59) AKR1C3APEX1LMNAMAPT
SCHEMBL3736899 0.87 AKR1C3 (0.59) AKR1C3APEX1HTTRXRARXRB

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-0644232-B1 Free radical cured rubber GOODYEAR TIRE & RUBBER (US) 1997-03-05 EP claimed