SCHEMBL6742503

SCHEMBL6742503

CCC(=O)NC(C(=O)O)C(=O)NC(CO)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.49
TGFBR1 P36897 3/20 0.44
CYP2C9 P11712 1/20 0.37
ACE P12821 1/20 0.37
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PIN1 Q13526 1/20 0.33
ECE1 P42892 1/20 0.33

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
SCHEMBL4193694 0.85 MME (0.55) MMETGFBR1CYP2C9CA2CA1
SCHEMBL2633143 0.85 MME (0.55) MMETGFBR1CYP2C9CA2CA1
SCHEMBL27088409 0.85 MME (0.55) MMETGFBR1CYP2C9CA2CA1
SCHEMBL16317817 0.76 MME (0.43) MMETGFBR1CYP2C9ACEPIN1
SCHEMBL6138128 0.73 MME (0.59) MMETGFBR1ACECA2
SCHEMBL9650023 0.72 MME (0.58) MMETGFBR1ACEECE1
SCHEMBL13380098 0.72 MME (0.58) MMETGFBR1ACEECE1
SCHEMBL14163011 0.72 MME (0.58) MMETGFBR1ACEECE1
SCHEMBL31501278 0.72 CYP2C9 (0.45) TGFBR1CYP2C9PIN1
SCHEMBL16314051 0.71 MME (0.56) MMETGFBR1CYP2C9ACEECE1

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-8182829-B2 Drug eluting implantable medical device with hemocompatible and/or prohealing topcoat ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2012-05-22 US disclosed