SCHEMBL6943674

SCHEMBL6943674

C=C(C)CN(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.55
TGFBR1 P36897 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RX3 P56373 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
SCHEMBL6939910 0.94 ADAM17 (0.57) ADAM17TGFBR1MMP2MEN1KMT2A
SCHEMBL6939914 0.94 ADAM17 (0.57) ADAM17TGFBR1MMP2MEN1KMT2A
SCHEMBL6943561 0.91 ADAM17 (0.67) ADAM17TGFBR1MMP2MEN1KMT2A
SCHEMBL6947109 0.91 ADAM17 (0.57) ADAM17TGFBR1MMP2MEN1KMT2A
SCHEMBL6946732 0.91 ADAM17 (0.55) ADAM17TGFBR1MMP2MMP3MMP7
SCHEMBL6943362 0.90 ADAM17 (0.56) ADAM17TGFBR1MMP2P2RX3
SCHEMBL6942461 0.90 ADAM17 (0.56) ADAM17TGFBR1MMP2P2RX3
SCHEMBL6943975 0.90 ADAM17 (0.56) ADAM17TGFBR1MMP2MMP3MMP7
SCHEMBL6945556 0.90 ADAM17 (0.58) ADAM17TGFBR1MMP2MMP7P2RX3
SCHEMBL6946725 0.90 ADAM17 (0.56) ADAM17TGFBR1MMP2P2RX3

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