SCHEMBL6589320

SCHEMBL6589320

Cc1c(C)c2ccc(OCCO)c(C)c2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.63
ALDH1A1 P00352 10/20 0.63
HPGD P15428 6/20 0.63
HSD17B10 Q99714 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
TP53 P04637 1/20 0.57
TSHR P16473 2/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
GLA P06280 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL9212185 0.84 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9217370 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Dimethylamine SCHEMBL9219956 0.82 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9209085 0.81 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9217953 0.81 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9212240 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9212023 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9212209 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9216335 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9220473 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689799-B1 NON-NUCLEOSIDE-DERIVATIVE VIRICIDES REPHARTOX (NL) 2004-02-10 US disclosed
EP-1214315-B9 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2004-01-02 EP disclosed
EP-1214315-B1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2003-05-02 EP disclosed
EP-1214315-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF Rephartox (NL) 2002-06-19 EP disclosed
WO-2001014370-A1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2001-03-01 WO disclosed
EP-0670833-A1 NITROXY COMPOUNDS WITH PHARMACEUTICAL PROPERTIES IOVIS BIOMEDICAL AND PHARMACEUTICAL CONSULTANTS (NL) 1995-09-13 EP disclosed
WO-1994012488-A1 NITROXY COMPOUNDS WITH PHARMACEUTICAL PROPERTIES BYK NEDERLAND BV (NL) 1994-06-09 WO disclosed