SCHEMBL4480678

SCHEMBL4480678

FC(F)(F)c1ccc(COc2cc(-c3ccc(C4CC[CH]CC4)cc3)[nH]n2)o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 2/20 0.38
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
NOTUM Q6P988 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL14813186 0.85 DGAT1 (0.45) SLC6A4HTR2CHTR2B
SCHEMBL4937153 0.85 DGAT1 (0.45) SLC6A4HTR2CHTR2B
SCHEMBL4330968 0.81 PRMT5 (0.44) SLC6A4HTR2CHTR2B
SCHEMBL14813151 0.78 SLC6A4 (0.35) SLC6A4HTR2CHTR2BHTR6MMP13
SCHEMBL4491043 0.76 S1PR1 (0.37) SLC6A4HTR2CHTR2B
SCHEMBL4475129 0.75 SLC6A4 (0.39) SLC6A4JAK1
SCHEMBL4493691 0.72 IGF1R (0.36) SLC6A4
SCHEMBL28781444 0.71 APOBEC3G (0.38) CHEK1
SCHEMBL4474532 0.68 CHEK1 (0.37) NOTUMCHEK1
SCHEMBL4936610 0.66 DGAT1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP claimed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO claimed
EP-2117526-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP disclosed
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed