SCHEMBL8566461

SCHEMBL8566461

CCOC(=O)[C@@H]1CNc2ccccc2O1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
ALDH1A1 P00352 4/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL924887 1.00 HPGD (0.61) HPGDALDH1A1CYP4F2CYP4A11POLB
SCHEMBL8566458 1.00 HPGD (0.61) HPGDALDH1A1CYP4F2CYP4A11POLB
Hydrochloric Acid SCHEMBL11567507 0.99 HPGD (0.60) HPGDALDH1A1CYP4F2CYP4A11POLB
SCHEMBL26940175 0.89 HPGD (0.62) HPGDALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL8562493 0.84 HPGD (0.61) HPGDALDH1A1HSD17B10KDM4EMEN1
SCHEMBL8562494 0.84 HPGD (0.61) HPGDALDH1A1HSD17B10KDM4EMEN1
SCHEMBL1689603 0.84 HPGD (0.61) HPGDALDH1A1HSD17B10KDM4EMEN1
SCHEMBL11561148 0.84 ADAMTS5 (0.46) HPGDALDH1A1CYP4F2CYP4A11POLB
SCHEMBL7817820 0.84 HSD17B10 (0.60) HPGDALDH1A1CYP4F2CYP4A11POLB
SCHEMBL2577554 0.84 HSD17B10 (0.48) HPGDALDH1A1CYP4F2CYP4A11POLB

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-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed