SCHEMBL28116074

SCHEMBL28116074

CC(C)(C)OC(=O)N[C@H](c1cncc(OCc2ccccc2)c1)C(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
PTPN1 P18031 3/20 0.42
ACE P12821 1/20 0.42
BCL2 P10415 1/20 0.42
PPARG P37231 2/20 0.41
CTSS P25774 3/20 0.41
MAPT P10636 2/20 0.41
SYK P43405 1/20 0.41
ATM Q13315 2/20 0.40
YAP1 P46937 1/20 0.40
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
LTA4H P09960 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL28116075 1.00 PPARA (0.45) PPARAPTPN1ACEBCL2PPARG
SCHEMBL16178609 0.91 KLK5 (0.42) PPARAPTPN1ACEBCL2PPARG
SCHEMBL16178610 0.91 KLK5 (0.42) PPARAPTPN1ACEBCL2PPARG
SCHEMBL14714189 0.81 BCL2 (0.48) PPARAPTPN1ACEBCL2CTSS
SCHEMBL14699538 0.81 KMT2A (0.46) PPARAPTPN1ACESYKYAP1
SCHEMBL14699539 0.78 KMT2A (0.47) PPARASYKYAP1KLK5LTA4H
SCHEMBL14699537 0.78 KMT2A (0.47) PPARASYKYAP1KLK5LTA4H
SCHEMBL16178663 0.78 KMT2A (0.47) PPARASYKYAP1KLK5LTA4H
SCHEMBL16178662 0.78 KMT2A (0.47) PPARASYKYAP1KLK5LTA4H
SCHEMBL16188947 0.77 LTA4H (0.40) YAP1KLK5LTA4HCYP3A4

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
CN-103906743-B The compound being combined with blood-platelet specific glycoprotein iib/iiia and the purposes of its thrombus imaging 皮拉莫尔影像股份公司 2016-12-28 CN disclosed