SCHEMBL4636042

SCHEMBL4636042

CCOP(=O)(Cc1ccc(Cc2ccc(OCCOC)cc2)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
PKM P14618 1/20 0.37
ACACB O00763 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 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
SCHEMBL915260 0.95 KDM4E (0.42) KDM4ERECQLALDH1A1LMNAMAPT
SCHEMBL914820 0.91 KDM4E (0.39) CYP2D6KDM4ERECQLCCNT1CDK9
SCHEMBL915717 0.87 PTPN1 (0.43) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL916773 0.86 KDM4E (0.43) CYP1A2HTTKDM4ERECQLALDH1A1
SCHEMBL12082470 0.83 CCNT1 (0.40) ALDH1A1LMNAMAPTCCNT1CDK9
SCHEMBL10866160 0.82 NQO1 (0.52) LTA4HKDM4EALDH1A1LMNAMAPT
SCHEMBL917394 0.82 NR1I2 (0.46) CYP1A2CYP2D6KDM4ERECQLALDH1A1
SCHEMBL916688 0.82 ACACB (0.41) CYP1A2CYP2D6CYP2C19KDM4ERECQL
SCHEMBL16353273 0.81 KDM4E (0.56) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17321130 0.80 LTA4H (0.52) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932867-A1 POLYESTER, PROCESS FOR PRODUCTION OF POLYESTER, AND POLYESTER MOLDED ARTICLE Toyo Boseki Kabushiki Kasisha (JP) 2008-06-18 EP disclosed