SCHEMBL14224327

SCHEMBL14224327

CCCCONC(=O)C(N)[C@@H](C)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR2 O95136 1/20 0.39
SLC15A1 P46059 1/20 0.37
DPP7 Q9UHL4 4/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
TLR2 O60603 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
XIAP P98170 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL1109152 1.00 S1PR1 (0.39) S1PR1S1PR3S1PR2SLC15A1DPP7
SCHEMBL26789944 0.79 CA1 (0.42) SLC15A1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL10308586 0.79 SLC7A5 (0.41) ALDH1A1
SCHEMBL15936938 0.79 SLC7A5 (0.41) ALDH1A1
SCHEMBL17030299 0.77 ALDH1A1 (0.36) SLC15A1DPP7DPP8DPP4DPP9
SCHEMBL16561709 0.77 ALDH1A1 (0.45) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL4586188 0.77 ALDH1A1 (0.45) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL13555250 0.75 S1PR2 (0.39) S1PR1S1PR3S1PR2SLC15A1DPP7
SCHEMBL10542832 0.75 S1PR2 (0.39) S1PR1S1PR3S1PR2SLC15A1DPP7
SCHEMBL18078270 0.75 NAAA (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed