SCHEMBL8990667

SCHEMBL8990667

CCOc1oc(-c2ccco2)nc1C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.44
ALDH1A1 P00352 10/20 0.44
HSD17B10 Q99714 8/20 0.44
KDM4E B2RXH2 8/20 0.44
MAPT P10636 8/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
TSHR P16473 4/20 0.44
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
F2 P00734 1/20 0.41
HIF1A Q16665 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
PPARG P37231 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
SCHEMBL8990955 0.83 RAB9A (0.43) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL8990670 0.79 ALDH1A1 (0.43) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL8990962 0.71 RAB9A (0.43) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10504755 0.68 KDM4E (0.51) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL28295524 0.68 TARBP2 (0.62) HPGDALDH1A1HSD17B10KDM4ETSHR
SCHEMBL10504632 0.65 TARBP2 (0.48) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10506591 0.65 ALDH1A1 (0.42) HPGDALDH1A1HSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL9402317 0.65 KMT2A (0.59) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10505488 0.64 ALDH1A1 (0.47) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL8990569 0.63 RAB9A (0.48) HPGDALDH1A1HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500428-A Furyl-substituted purines and adenosine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-03-19 US disclosed
US-5300509-A Adenosine antagonists for treating cardiovascular disorders, vasodilation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-05 US disclosed