SCHEMBL442276

SCHEMBL442276

C=C(C)C(=O)NCCC(CCCC)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC15A1 P46059 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
EPHX1 P07099 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
CNR1 P21554 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
ANPEP P15144 2/20 0.32
RNPEP Q9H4A4 2/20 0.32

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
SCHEMBL443432 0.94 GNAI3 (0.39) DPP7EPHX1GNAI3GNAO1GNAI1
SCHEMBL441841 0.88 GNAI3 (0.46) DPP7MMP8EPHX1SMN1; SMN2GNAI3
SCHEMBL20740917 0.77 KISS1R (0.39) CYP1A2CYP2C9CYP2C19MMP8SMN1; SMN2
Hydrochloric Acid SCHEMBL10992431 0.77 DPP7 (0.45) DPP7CYP1A2CYP2C9CYP2C19MMP9
SCHEMBL27247 0.77 ACHE (0.52) CYP1A2CYP2C19EPHX1ACHEPLA2G2A
SCHEMBL253022 0.75 EPHX1 (0.56) DPP7EPHX1ACHEPLA2G2A
Hydrochloric Acid SCHEMBL15846376 0.75 ACHE (0.50) CYP1A2CYP2C19EPHX1ACHEPLA2G2A
Ammonia Solution, Strong SCHEMBL11669840 0.75 ACHE (0.50) CYP1A2CYP2C19EPHX1ACHEPLA2G2A
SCHEMBL27834646 0.75 ACHE (0.50) CYP1A2CYP2C19EPHX1ACHEPLA2G2A
SCHEMBL3235398 0.75 ANPEP (0.52) MMP8SMN1; SMN2CNR1ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835368-B2 Compounds and a method of lubricating an internal combustion engine THE LUBRIZOL CORPORATION (US) 2014-09-16 US disclosed
US-20120065110-A1 Compounds and a Method of Lubricating an Internal Combustion Engine THE LUBRIZOL CORPORATION (US) 2012-03-15 US disclosed