SCHEMBL6940050

SCHEMBL6940050

CCC[C@](C(=O)NN)(c1ccc(C)cc1C[C@@H](NC(=O)c1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.32
P2RX3 P56373 1/20 0.32
CTSS P25774 3/20 0.32
USP30 Q70CQ3 2/20 0.32
TGFBR1 P36897 1/20 0.31
TACR1 P25103 1/20 0.31
MAPK14 Q16539 2/20 0.31
DDR1 Q08345 1/20 0.31
DDR2 Q16832 1/20 0.31
CTSL P07711 2/20 0.31
CTSK P43235 1/20 0.31
HPN P05981 1/20 0.30
HGFAC Q04756 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPK11 Q15759 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
SCHEMBL6943580 0.84 HPGD (0.32) P2RX3TGFBR1L3MBTL1
SCHEMBL6946176 0.78 TGFBR1 (0.33) P2RX3TGFBR1
SCHEMBL6938018 0.78 CCR3 (0.33)
SCHEMBL6946104 0.77 TGFBR1 (0.31) TGFBR1
SCHEMBL6945332 0.77 HPGD (0.34) TGFBR1L3MBTL1
SCHEMBL7131174 0.77 ALDH1A1 (0.32) TGFBR1
SCHEMBL8099189 0.75
SCHEMBL6940042 0.74 SMN1; SMN2 (0.33)
SCHEMBL6943242 0.74 L3MBTL1 (0.32) CTSSL3MBTL1
SCHEMBL6946921 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed