SCHEMBL7709189

SCHEMBL7709189

CC(=O)N1CCC(=S)[C@H]1C(=O)O.N[C@@H](Cc1cccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 7/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC7A5 Q01650 3/20 0.35
GHSR Q92847 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
KLKB1 P03952 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
SCHEMBL6934288 0.75 PPARG (0.47) GHSR
SCHEMBL6930581 0.74 ITGB3 (0.47) SLC7A5
SCHEMBL6935539 0.73 DPP4 (0.47) SLC7A5
SCHEMBL6931543 0.73 CTSL (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ASLC7A5
SCHEMBL6935590 0.72 ITGA4 (0.48) ITGB1ITGA4
SCHEMBL6930981 0.72 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL3323628 0.67 HIF1A (0.52) ALDH1A1SMN1; SMN2EPHX2MEN1KMT2A
SCHEMBL25355736 0.67 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2
SCHEMBL25359079 0.67 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2
SCHEMBL25356665 0.67 SLC7A5 (0.56) SLC7A5NOS3NOS1NOS2

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-6362204-B1 CONTROLLING IMMUNOLOGY; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LTD (GB) 2002-03-26 US disclosed