SCHEMBL6942385

SCHEMBL6942385

COC(=O)c1ccc(C=CC[C@H](C(=O)NOC2CCCCO2)[C@@H](CC(C)C)C(=O)NN(c2ccccc2)S(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.45
P2RX3 P56373 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 1/20 0.32
FCER2 P06734 1/20 0.32
KCNH2 Q12809 1/20 0.31
TGFBR1 P36897 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 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
SCHEMBL6947352 0.94 ADAM17 (0.51) ADAM17P2RX3MEN1KMT2ATGFBR1
SCHEMBL6942441 0.90 ADAM17 (0.45) ADAM17P2RX3KMT2AFCER2TGFBR1
SCHEMBL6940024 0.90 ADAM17 (0.48) ADAM17MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6945960 0.90 ADAM17 (0.51) ADAM17P2RX3TGFBR1
SCHEMBL6943306 0.88 ADAM17 (0.45) ADAM17P2RX3TGFBR1POLB
SCHEMBL6944673 0.87 ADAM17 (0.46) ADAM17P2RX3FCER2SMN1; SMN2
SCHEMBL6940527 0.87 ADAM17 (0.46) ADAM17P2RX3TGFBR1ALDH1A1
SCHEMBL6942478 0.86 ADAM17 (0.41) ADAM17P2RX3TGFBR1ALDH1A1POLB
SCHEMBL6946107 0.85 ADAM17 (0.38) ADAM17P2RX3POLB
SCHEMBL7937100 0.85 ADAM17 (0.48) ADAM17P2RX3TGFBR1

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