SCHEMBL1938409

SCHEMBL1938409

Cc1c(Cl)c(=O)oc2cc(O)ccc12.O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 5/20 0.67
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 2/20 0.48
MAOB P27338 3/20 0.47
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
ALPL P05186 2/20 0.45
ALPI P09923 2/20 0.45
MAOA P21397 2/20 0.44
ERAP1 Q9NZ08 1/20 0.44

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
SCHEMBL30640528 0.82 HSD17B3 (1.00) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL1024770 0.82 HSD17B3 (1.00) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL1953258 0.81 KDM4E (0.56) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL12549576 0.81 KDM4E (0.56) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL10852475 0.72 HSD17B3 (0.79) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL194511 0.72 HSD17B3 (0.63) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL30763746 0.72 HSD17B3 (0.63) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL27834681 0.72 KDM4E (0.55) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL27834639 0.71 HSD17B3 (0.71) HSD17B3KDM4EALDH1A1GAAHPGD
SCHEMBL8848474 0.71 HSD17B3 (0.77) HSD17B3KDM4EALDH1A1GAAHPGD

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-2331702-B1 CULTURE MEDIUM ENABLING THE DIFFERENTIATION OF STAPHYLOCOCCUS AUREUS FROM COAGULASE-NEGATIVE STAPHYLOCOCCI BIOMERIEUX SA (FR) 2013-11-06 EP disclosed
EP-2331702-A2 CULTURE MEDIUM ENABLING THE DIFFERENTIATION OF STAPHYLOCOCCUS AUREUS FROM COAGULASE-NEGATIVE STAPHYLOCOCCI Biomérieux (FR) 2011-06-15 EP disclosed
WO-2010018349-A2 CULTURE MEDIUM ENABLING THE DIFFERENTIATION OF STAPHYLOCOCCUS AUREUS FROM COAGULASE-NEGATIVE STAPHYLOCOCCI bioMérieux (FR) 2010-02-18 WO disclosed