SCHEMBL4375758

SCHEMBL4375758

OC(OC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 2/20 0.41
KCNN4 O15554 4/20 0.41
TSHR P16473 2/20 0.41
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
PTPN1 P18031 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5154601 0.80 ALDH1A1 (0.54) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL28117527 0.78 CES1 (0.47) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL5061023 0.77 ALDH1A1 (0.44) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL9806676 0.74 CYP2C19 (0.43) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL2138575 0.74 CYP2C19 (0.43) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL10917315 0.74 CYP2C19 (0.41) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL11850446 0.72 KCNN4 (0.38) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL905247 0.72 KCNN4 (0.38) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL11850439 0.72 KCNN4 (0.38) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL11100240 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15CYP1A2CYP2C9CYP2C19

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-1825752-B1 Coating compound made of an agent which generates SiO2 with at least two antibacterial agents STIFTUNG NANO INNOVATIONS FOR (CH) 2009-11-18 EP claimed
EP-1826249-B1 Utilisation of a coating compound for a container lock, container lock coating as antibacterial agent, its manufacture and application STIFTUNG NANO INNOVATIONS FOR (CH) 2008-12-24 EP claimed
EP-1826248-B1 Container fastening coating composition, container fastening coating, its manufacture and application STIFTUNG NANO INNOVATIONS FOR (CH) 2008-12-24 EP claimed
EP-0096263-B1 DIFLUOROMETHOXYPHENYLTHIOPHOSPHORIC-ACID ESTERS BASF Aktiengesellschaft (DE) 1985-12-11 EP disclosed