SCHEMBL6946104

SCHEMBL6946104

C=CC[C@H](C(=O)NOC1CCCCO1)c1cc(C)ccc1[C@](CCC)(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.31

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
SCHEMBL6946176 0.89 TGFBR1 (0.33) TGFBR1
SCHEMBL6942383 0.86 TGFBR1 (0.32) TGFBR1
SCHEMBL6946850 0.86 TGFBR1 (0.31) TGFBR1
SCHEMBL6943304 0.86 TGFBR1 (0.34) TGFBR1
SCHEMBL6942438 0.85 HPGD (0.35) TGFBR1
SCHEMBL6943580 0.85 HPGD (0.32) TGFBR1
SCHEMBL7131174 0.85 ALDH1A1 (0.32) TGFBR1
SCHEMBL6938018 0.84 CCR3 (0.33)
SCHEMBL6945332 0.83 HPGD (0.34) TGFBR1
SCHEMBL6943242 0.83 L3MBTL1 (0.32)

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