SCHEMBL28022677

SCHEMBL28022677

CC(=Cc1cc(C(=O)O)c(C=C(C)C(=O)O)cc1C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
CFD P00746 2/20 0.36
APEX1 P27695 10/20 0.36
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
DHODH Q02127 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
NR4A2 P43354 1/20 0.33
RXRG P48443 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
SCHEMBL3037136 0.84 KDM4E (0.51) AKR1C3APEX1DHODHRXRARXRB
SCHEMBL2489064 0.77 AKR1C3 (0.50) AKR1C3APEX1LTB4RLTB4R2RXRA
SCHEMBL1155406 0.74 AKR1C3 (0.47) AKR1C3APEX1DHODHTRPM8
Pyromellitic Acid SCHEMBL27950079 0.73 AKR1C3 (0.40) AKR1C3CFDLCKFYN
SCHEMBL31666241 0.73 AKR1C3 (0.68) AKR1C3APEX1RXRARXRBNR4A2
SCHEMBL3893886 0.73 AKR1C3 (0.68) AKR1C3APEX1RXRARXRBNR4A2
SCHEMBL8746671 0.73 AKR1C3 (0.68) AKR1C3APEX1RXRARXRBNR4A2
SCHEMBL3420812 0.72 AKR1C3 (0.45) AKR1C3APEX1LTB4RLTB4R2RXRA
SCHEMBL8746655 0.72 AKR1C3 (0.67) AKR1C3APEX1
SCHEMBL8746653 0.72 AKR1C3 (0.67) AKR1C3APEX1

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
CN-104892810-A Method for preparing porous polymer particles through firstly assembling and then photopolymerization UNIV BEIJING CHEMICAL 2015-09-09 CN disclosed