SCHEMBL11244478

SCHEMBL11244478

CC(C(=O)O)(C(=O)C(N)Cc1ccccc1)N(C(=O)OCc1ccccc1)c1[c]cccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.39
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ABCB1 P08183 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCC3 O15438 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
SCHEMBL8127409 0.77 SLC15A1 (0.44) SLC15A1ALDH1A1ALOX15ALPIPKM
SCHEMBL8127898 0.71 ALDH1A1 (0.40) SLC15A1ALDH1A1ABCB1LTA4HCTSL
SCHEMBL8668409 0.71 ALDH1A1 (0.47) ALDH1A1ABCB1CTSLCTSBCTSS
SCHEMBL22542489 0.70 SLC15A1 (0.53) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL9301990 0.69 ABCB1 (0.40) SLC15A1ALDH1A1ABCB1SMN1; SMN2LTA4H
SCHEMBL27282129 0.68 ANPEP (0.40) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL9240078 0.67 SLC7A5 (0.46) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL9240073 0.67 SLC7A5 (0.46) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL8127809 0.67 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11481445 0.67 SLC15A1 (0.42) SLC15A1ALDH1A1ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350628-A OXIDATIVE DEHYDROGENATION WITH A BENZOQUINONE RESEARCH CORPORATION (US) 1982-09-21 US disclosed
US-4283328-A TREATING AN N-BLOCKED AMINO ACID RESIDUE WITH A TETRAMETHYL GUANIDINIUM SALT OF A PEPTIDE CHAIN RESEARCH CORPORATION (US) 1981-08-11 US disclosed
US-4261884-A DESIRABLE BIOLOGICAL PROPERTIES AND STABILITY TO ENZYME CLEAVAGE RESEARCH CORPORATION (US) 1981-04-14 US disclosed