SCHEMBL3629809

SCHEMBL3629809

C#CCC(O)c1ccc(-c2c(C)nc3ncnn3c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 17/20 0.45
TSHR P16473 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL3626810 0.75 MBOAT4 (0.40) MBOAT4TSHRKDM4E
SCHEMBL10372114 0.74 NPC1 (0.56) MBOAT4TSHRKDM4E
SCHEMBL302642 0.73 MBOAT4 (0.50) MBOAT4
SCHEMBL3629813 0.72 MBOAT4 (0.39) MBOAT4
SCHEMBL373769 0.72 MAP3K14 (0.48) MBOAT4TSHRKDM4E
SCHEMBL609735 0.72 MBOAT4 (0.43) MBOAT4TSHR
SCHEMBL3626812 0.69 MBOAT4 (0.39) MBOAT4KDM4E
SCHEMBL4906210 0.68 MBOAT4 (0.38) MBOAT4
SCHEMBL14491199 0.67 ALDH1A1 (0.49) MBOAT4
SCHEMBL14491955 0.66 MBOAT4 (0.48) MBOAT4TSHR

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-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP claimed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO claimed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed