SCHEMBL7207956

SCHEMBL7207956

O=C(OC(O)O)[C@@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
PRCP P42785 1/20 0.39
DPP4 P27487 4/20 0.39
DPP7 Q9UHL4 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
FAP Q12884 1/20 0.37
TLR2 O60603 2/20 0.36
HTR2C P28335 1/20 0.35
CTSC P53634 1/20 0.35
IDO1 P14902 1/20 0.34
GLI1 P08151 1/20 0.34

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
SCHEMBL3781419 0.82 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL15391851 0.82 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL84845 0.82 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL3771163 0.82 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL19502428 0.82 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL3781423 0.82 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7782161 0.82 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4
SCHEMBL3771160 0.82 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL28015154 0.82 PRCP (0.39) NOS2NOS3NOS1PRCPDPP4
Hydrochloric Acid SCHEMBL29401738 0.81 PRCP (0.41) NOS2NOS3NOS1PRCPDPP4

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-6613738-B1 Comprising 1,2-dihydroxy-homotyrosine, 4-hydroxyproline, threonine, glutamine, 3-,4-dihydroxymethylproline, 4,5-dihydroxyornithine and lipid HMV CORPORATION 2003-09-02 US disclosed
WO-2000009735-A1 A CYCLIC LIPOPEPTIDE FROM CRYPTOSPORIOPSIS QUERCINA POSSESSING ANTIFUNGAL ACTIVITY STROBEL GARY A (US) 2000-02-24 WO disclosed