SCHEMBL6904069

SCHEMBL6904069

O=C(NCCCOCCOCCO)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 6/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 3/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CNR1 P21554 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FPR2 P25090 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL26661968 0.89 ALDH1A1 (0.55) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL30099797 0.84 ALDH1A1 (0.65) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL19046464 0.83 PPARA (0.60) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL19046478 0.83 EPHX1 (0.57) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL3065011 0.82 EPHX1 (0.70) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL12661777 0.81 EPHX1 (0.71) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL2446111 0.81 EPHX1 (0.77) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL10595824 0.80 LMNA (0.68) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL15741133 0.80 EPHX1 (0.73) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL9547553 0.79 EPHX1 (0.83) EPHX1KDM4EALDH1A1HTTLMNA

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-1038884-B1 Process for the preparation of modified vinyl ether polymers BYK CHEMIE GMBH (DE) 2004-01-21 EP disclosed
US-6512058-B1 A method of producing modified vinyl ether polymers, wherein vinyl either polymers comprising recurring units having formula where R represents C2-C4 alkyl group and x denotes an integer having the formula Y-OH, wherein Y represents BYJ-CHEMIE GMBH (DE) 2003-01-28 US disclosed
EP-1038884-A1 Process for the preparation of modified vinyl ether polymers Byk-Chemie GmbH (DE) 2000-09-27 EP disclosed