SCHEMBL8804751

SCHEMBL8804751

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

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
SCHEMBL29478249 0.98 PTPN1 (0.50) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL49835 0.98 PTPN1 (0.50) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Benzene SCHEMBL3625753 0.98 PTPN1 (0.50) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL29404854 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Water SCHEMBL7131147 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL28702995 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Hydrochloric Acid SCHEMBL28954205 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
Hydrochloric Acid SCHEMBL15549923 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL28354634 0.96 PTPN1 (0.49) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL29388011 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9012883-A — — None — — JP disclosed
JP-1299282-A — — None — — JP disclosed
WO-2019078534-A2 LIQUID CRYSTAL ALIGNMENT AGENT COMPOSITION, METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM USING SAME, AND LIQUID CRYSTAL ALIGNMENT FILM USING SAME 주식회사 엘지화학 2019-04-25 — — WO disclosed
JP-H0912883-A POLYAMIC ACID COMPOSITION UBE IND LTD 1997-01-14 — — JP disclosed
EP-0459481-B1 Method of manufacturing thermal head TOSHIBA KK (JP) 1994-12-07 — — EP disclosed
EP-0367122-B1 Thermal head TOSHIBA KK (JP) 1994-07-13 — — EP disclosed
EP-0459481-A2 Method of manufacturing thermal head KABUSHIKI KAISHA TOSHIBA (JP) 1991-12-04 — — EP disclosed
US-4985712-A Protective coating KABUSHIKI KAISHA TOSHIBA (JP) 1991-01-15 — — US disclosed
EP-0367122-A1 Thermal head KABUSHIKI KAISHA TOSHIBA (JP) 1990-05-09 — — EP disclosed
JP-H01299282-A STABILIZATION OF BIPHENYLTETRACARBOXYLIC ACID DIANHYDRIDE MITSUBISHI KASEI CORP 1989-12-04 — — JP disclosed
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