SCHEMBL29404854

SCHEMBL29404854

O=C(O)c1cc(-c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.[Fe]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.49
HNF4A P41235 3/20 0.47
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 3/20 0.46
AKR1C3 P42330 1/20 0.46
PTPN6 P29350 2/20 0.45
FOLH1 Q04609 2/20 0.45
PTPN2 P17706 1/20 0.45
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ACMSD Q8TDX5 3/20 0.43
DHFR P00374 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
CDC25B P30305 1/20 0.43
ATM Q13315 1/20 0.43
BCAT2 O15382 1/20 0.41
PRKAB2 O43741 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
SCHEMBL49835 0.98 PTPN1 (0.50) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Benzene SCHEMBL3625753 0.98 PTPN1 (0.50) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL29478249 0.98 PTPN1 (0.50) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Hydrochloric Acid SCHEMBL28954205 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL29388011 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL8804751 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Methane SCHEMBL29177518 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Hydrochloric Acid SCHEMBL15549923 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Water SCHEMBL7131147 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL28354634 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085014-B Treatment method of piper nigrum ring production wastewater 河北海力香料股份有限公司 2022-04-22 CN disclosed
CN-114085014-B Treatment method of piper nigrum ring production wastewater 河北海力香料股份有限公司 2022-04-22 CN disclosed
CN-114085014-A Treatment method of piper nigrum ring production wastewater 河北海力香料股份有限公司 2022-02-25 CN disclosed
CN-114085014-A Treatment method of piper nigrum ring production wastewater 河北海力香料股份有限公司 2022-02-25 CN disclosed