SCHEMBL6633768

SCHEMBL6633768

CN(C)C(=O)Oc1ccc(N([C@@](C)(C(=O)O)C(=O)[C@H]2NC(C)(C)CS2)S(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 3/20 0.32
NPY2R P49146 1/20 0.30

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
SCHEMBL6633703 0.93 ALDH1A1 (0.37) KDM4ERAB9AGAAALDH1A1MAPT
SCHEMBL6633780 0.92 NCEH1 (0.32) RAB9AGAANPY2R
SCHEMBL6632840 0.91 TDP1 (0.32) TDP1FFAR1KDM4ERAB9AGAA
SCHEMBL6635393 0.88 HSD11B1 (0.32)
SCHEMBL6632994 0.86 HTR1A (0.31)
SCHEMBL6633399 0.86 KEAP1 (0.36) GAAALDH1A1MAPT
SCHEMBL6631970 0.85 TDP1 (0.35) TDP1FFAR1KDM4ERAB9AGAA
SCHEMBL6634428 0.84 ALDH1A1 (0.33) KDM4ERAB9AGAAALDH1A1MAPT
SCHEMBL6632020 0.83 HDAC3 (0.35)
SCHEMBL6632832 0.83 NCEH1 (0.31)

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
EP-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed