SCHEMBL9500548

SCHEMBL9500548

CC(c1ccccc1)c1cc(-c2ccccc2)cc(C(=O)O)c1O.[Zn]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.54
▸ AKR1C2 P52895 9/20 0.53
▸ AKR1C1 Q04828 9/20 0.53
▸ AKR1C3 P42330 2/20 0.53
▸ AKR1C4 P17516 1/20 0.53
▸ PTPN2 P17706 2/20 0.51
▸ PTPN6 P29350 2/20 0.51
▸ ACMSD Q8TDX5 3/20 0.45
▸ HNF4A P41235 2/20 0.45
▸ DHFR P00374 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ TYR P14679 1/20 0.43
▸ DHODH Q02127 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 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
SCHEMBL5888689 0.98 PTPN1 (0.55) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL9769835 0.93 AKR1C2 (0.51) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
Zinc Ion SCHEMBL9500541 0.86 PTPN1 (0.41) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL931199 0.85 TYR (0.45) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL9652600 0.84 PTPN1 (0.60) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL312340 0.83 TYR (0.46) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL9498828 0.82 AKR1C3 (0.51) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL11759869 0.82 TYR (0.45) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL7782911 0.82 TYR (0.45) PTPN1AKR1C2AKR1C1MCL1TYR
SCHEMBL9771279 0.82 TYR (0.45) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275107-B1 AN AQUEOUS DEVELOPER DISPERSION FOR A PRESSURE-SENSITIVE RECORDING SHEET AND A PROCESS FOR PRODUCING THE SAME Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-03-31 — — EP disclosed
US-4950330-A SUPERIOR STORAGE STABILITY AND MATERIAL HANDLING SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1990-08-21 — — US disclosed
EP-0275107-A2 An aqueous developer dispersion for a pressure-sensitive recording sheet and a process for producing the same Sanko Kaihatsu Kagaku Kenkyusho (JP) 1988-07-20 — — EP disclosed
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