SCHEMBL6575498

SCHEMBL6575498

CCCCOc1ccccc1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL898712 0.95 LMNA (0.58) CYP1A2CYP2C9CYP2C19KMT2ALMNA
SCHEMBL9874009 0.91 LMNA (0.50) KMT2ALMNAMEN1MAPTNR1I2
SCHEMBL6575493 0.87 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19KMT2ALMNA
SCHEMBL27645083 0.86 PTGS2 (0.59) CYP1A2CYP2C9CYP2C19KMT2ALMNA
SCHEMBL8437244 0.85 CHRM2 (0.46) CYP1A2CYP2C9CYP2C19KMT2ALMNA
Butane SCHEMBL1395551 0.85 KDM4E (0.47) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL8072579 0.84 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19KMT2ALMNA
1,2-Dibutoxybenzene SCHEMBL1226749 0.82 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19KMT2ALMNA
1,2-Dibutoxybenzene SCHEMBL29428927 0.82 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19KMT2ALMNA
SCHEMBL898711 0.82 LMNA (0.59) CYP1A2CYP2C9CYP2C19KMT2ALMNA

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-1412411-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2004-04-28 EP disclosed
WO-2003008481-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-01-30 WO disclosed
US-6491774-B2 Method for preparing an improved liquid crystal clinical thermometer MEDICAL INDICATORS, INC. 2002-12-10 US disclosed
US-20020074074-A1 Method for preparing an improved liquid crystal clinical thermometer MEDICAL INDICATORS, INC. 2002-06-20 US disclosed