SCHEMBL8319210

SCHEMBL8319210

O=C(O)COc1ccc([C@@H](O)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TSHR P16473 1/20 0.60
ALOX15 P16050 1/20 0.57
PTPN7 P35236 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
PTPN12 Q05209 1/20 0.54
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
GRM4 Q14833 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
FFAR1 O14842 1/20 0.51
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8319206 1.00 ALDH1A1 (0.60) ALDH1A1TSHRALOX15PTPN7MEN1
SCHEMBL6831673 0.85 ALDH1A1 (0.64) ALDH1A1TSHRALOX15PTPN7MEN1
SCHEMBL8088670 0.83 GPR174 (0.52) ALDH1A1TSHRMAPTGRM8GRM6
SCHEMBL339492 0.82 ALOX15 (0.81) ALDH1A1TSHRALOX15PTPN7MEN1
SCHEMBL23053351 0.81 AKR1C3 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL9195223 0.81 AKR1C3 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL9427862 0.81 AKR1C3 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL9142660 0.80 GAA (0.53) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL15942681 0.80 ALOX15 (0.66) ALDH1A1TSHRALOX15PTPN7MEN1
SCHEMBL31265587 0.80 ALDH1A1 (0.58) ALDH1A1TSHRALOX15PTPN7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6128499-A None JP disclosed
EP-0559345-B1 Polycyclic dyes BASF AG (DE) 1999-05-06 EP disclosed
EP-0560499-B1 Process for the preparation of polycyclic dyes BASF AG (DE) 1997-07-09 EP disclosed
US-5422415-A Benzofuran derivative, phenolic antioxidant, secondary amine antioxidant; foams CIBA-GEIGY CORPORATION (US) 1995-06-06 US disclosed
US-5360919-A Quinone and hydroquinone dyes ZENECA LIMITED (GB) 1994-11-01 US disclosed
US-5356966-A Stabilizing organic material against oxidative, thermal or light iinduced degradation CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
US-5319109-A Polycyclic dyes ZENECA LIMITED (GB) 1994-06-07 US disclosed
JP-H06128499-A POLYCYCLIC DYE ZENECA LTD 1994-05-10 JP disclosed
US-5308899-A Benzofuranone derivative, phenolic and secondary amine antioxidants CIBA-GEIGY CORPORATION (US) 1994-05-03 US disclosed
EP-0574148-A1 Polycyclic dyes ZENECA LIMITED (GB) 1993-12-15 EP disclosed
EP-0560499-A1 Polycyclic dyes ZENECA LIMITED (GB) 1993-09-15 EP disclosed
EP-0559345-A1 Polycyclic dyes ZENECA LIMITED (GB) 1993-09-08 EP disclosed
EP-0146269-B1 HETERO-POLYCYCLIC AROMATIC COMPOUND IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-03 EP disclosed
EP-0294029-A2 Hetero-polycyclic aromatic compounds ZENECA LIMITED (GB) 1988-12-07 EP disclosed
US-4650882-A Dyes having two 5-membered lactone rings fused to a central cyclohexa-1.4-diene nucleus IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-17 US disclosed
EP-0146269-A2 Hetero-polycyclic aromatic compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-26 EP disclosed