SCHEMBL8459682

SCHEMBL8459682

O=C(O)c1cc(-c2ccccc2)c(C(=O)O)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 3/20 0.50
PTPN1 P18031 4/20 0.47
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
PTPN6 P29350 2/20 0.44
FOLH1 Q04609 2/20 0.44
PTPN2 P17706 1/20 0.44
FABP3 P05413 2/20 0.42
FABP4 P15090 2/20 0.42
FABP5 Q01469 1/20 0.42
ACMSD Q8TDX5 3/20 0.42
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.40
BCAT2 O15382 1/20 0.40

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
Phosphoric Acid SCHEMBL8462679 0.93 HNF4A (0.45) HNF4APTPN1AKR1C3AKR1C2AKR1C1
SCHEMBL29443090 0.85 HNF4A (0.50) HNF4APTPN1AKR1C3AKR1C2AKR1C1
SCHEMBL50362 0.85 HNF4A (0.50) HNF4APTPN1AKR1C3AKR1C2AKR1C1
SCHEMBL29478249 0.85 PTPN1 (0.50) HNF4APTPN1AKR1C3AKR1C2AKR1C1
Benzene SCHEMBL3625753 0.85 PTPN1 (0.50) HNF4APTPN1AKR1C3AKR1C2AKR1C1
SCHEMBL49835 0.85 PTPN1 (0.50) HNF4APTPN1AKR1C3AKR1C2AKR1C1
SCHEMBL28410944 0.85 HNF4A (0.53) HNF4APTPN1AKR1C3AKR1C2AKR1C1
SCHEMBL7802714 0.84 HNF4A (0.46) HNF4APTPN1AKR1C3AKR1C2AKR1C1
SCHEMBL10410493 0.84 MCL1 (0.47) AKR1C3AKR1C2AKR1C1MCL1ALDH1A1
SCHEMBL8804751 0.83 PTPN1 (0.49) HNF4APTPN1AKR1C3AKR1C2AKR1C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1677194-A Method for evaluating polymer for liquid crystal directional agent and the directional agent thereof JSR CO LTD (JP) 2005-10-05 CN disclosed
US-5876851-A PROTECTIVE COATING ON METAL TEIJIN LIMITED (JP) 1999-03-02 US disclosed