SCHEMBL8808451

SCHEMBL8808451

O=C1Oc2ccc(O)cc2C1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
ALDH1A1 P00352 10/20 0.44
HPGD P15428 7/20 0.44
GLA P06280 2/20 0.44
HSD17B10 Q99714 2/20 0.43
MAPT P10636 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ESR2 Q92731 4/20 0.38
ESR1 P03372 4/20 0.38
KDM4E B2RXH2 5/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL8802445 0.91 GAA (0.54) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8708250 0.85 GAA (0.64) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL571812 0.85 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8801247 0.85 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL571262 0.84 GAA (0.68) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8809032 0.81 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8810586 0.81 GAA (0.49) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL8705625 0.81 ALDH1A1 (0.63) GAAALDH1A1HPGDGLAMAPT
SCHEMBL9726098 0.79 GAA (0.47) GAAALDH1A1HPGDGLAHSD17B10
SCHEMBL3536195 0.78 ALDH1A1 (0.40) GAAALDH1A1HPGDGLAHSD17B10

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
EP-0502278-B1 Polycyclic dyes ZENECA LTD (GB) 1997-03-05 EP disclosed
US-5374724-A Process for the preparation of substituted acetic acids ZENECA, LIMITED (GB) 1994-12-20 US disclosed
US-5189181-A Process for preparation 2,6-dihydrobenzo[1:26, 4:5-6]-difuran dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 US disclosed
EP-0502278-A1 Polycyclic dyes ZENECA LIMITED (GB) 1992-09-09 EP disclosed