SCHEMBL7783352

SCHEMBL7783352

CCCCCOc1ccnc(OCCCCC)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.46
SOAT1 P35610 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
NR5A1 Q13285 1/20 0.38
LTA4H P09960 2/20 0.37
TLR8 Q9NR97 3/20 0.37
MCHR1 Q99705 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NUDT1 P36639 1/20 0.35
CYP19A1 P11511 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL4266406 0.94 MAPK8 (0.45) MAPK8CYP3A4CYP2D6LTA4HTLR8
SCHEMBL4264852 0.89 MAPK8 (0.43) MAPK8CYP3A4LTA4HTLR8MCHR1
SCHEMBL6918344 0.81 CYP3A4 (0.39) MAPK8SOAT1CYP3A4CYP2D6NR5A1
SCHEMBL10263555 0.81 MAPK8 (0.42) MAPK8NPC1LMNACYP1A2NUDT1
SCHEMBL3430277 0.81 MAPK8 (0.42) MAPK8SOAT1NPC1LMNACYP1A2
SCHEMBL9847177 0.80 MAPK8 (0.44) MAPK8NR5A1NPC1LMNANFKB1
SCHEMBL6283547 0.80 NUDT1 (0.57) TLR8MCHR1NUDT1
SCHEMBL6918342 0.80 MAPK8 (0.45) MAPK8SOAT1CYP3A4CYP2D6NR5A1
SCHEMBL8682728 0.79 MAPK8 (0.36) MAPK8SOAT1CYP3A4CYP2D6LTA4H
SCHEMBL27972350 0.79 CYP3A4 (0.40) SOAT1CYP3A4CYP2D6NR5A1TLR8

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
JP-11228311-A None JP disclosed
CN-105536873-B A kind of composite catalyst and its application 帕潘纳(北京)科技有限公司 2017-11-28 CN disclosed
EP-0794177-B1 Process for the preparation of unsymmertical 4,6-Bis (aryloxy pyrimidine compounds AMERICAN CYANAMID CO (US) 2001-10-10 EP disclosed
US-6087498-A Process for the preparation of unsymmetrical 4,6-bis(aryloxy) pyrimidine compounds AMERICAN CYANAMID COMPANY (US) 2000-07-11 US disclosed
US-5977363-A Process for the preparation of unsymmetrical 4,6-bis(aryloxy) pyrimidine compounds AMERICAN CYANAMID COMPANY (US) 1999-11-02 US disclosed
JP-H11228311-A IMPROVEMENT OF RESIDUAL PREVENTION OF MITE AND METHOD FOR KEEPING PLANT PROTECTION FROM PARATISM OF THE SAME AMERICAN CYANAMID CO 1999-08-24 JP disclosed
EP-0794177-A1 Process for the preparation of unsymmertical 4,6-Bis (aryloxy pyrimidine compounds American Cyanamid Company (US) 1997-09-10 EP disclosed