SCHEMBL7358388

SCHEMBL7358388

CCOC(=O)CCNC(=O)[C@H](N)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TOP2A P11388 1/20 0.37
REN P00797 1/20 0.37
MLYCD O95822 1/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL7396618 0.89 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL7396617 0.87 CYP1A2 (0.41) CYP1A2GAAMGAMSIMGAM2
SCHEMBL25827282 0.86 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL25826934 0.86 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL25827289 0.86 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL7140073 0.85 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10085314 0.81 GAA (0.46) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5494763 0.79 ANPEP (0.41) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5494766 0.79 ANPEP (0.41) CYP1A2GAAMGAMSIMGAM2
SCHEMBL27880698 0.76 GAA (0.45) CYP1A2GAAMGAMSIMGAM2

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-6242494-B1 ANGIOGENESIS INHIBITORS, ANTITUMOR AGENTS, DIABETIC RETINOPATHY, AND ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES 2001-06-05 US claimed