SCHEMBL6942268

SCHEMBL6942268

CC(C)C[C@@H](C(=O)NN(CC1CCC1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.55
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TGFBR1 P36897 1/20 0.31
CTSC P53634 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OXTR P30559 1/20 0.30
P2RX3 P56373 1/20 0.30
APP P05067 1/20 0.30
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL6943403 0.99 ADAM17 (0.55) ADAM17ALDH1A1GAATGFBR1CTSC
SCHEMBL6943362 0.98 ADAM17 (0.56) ADAM17ALDH1A1GAATGFBR1CTSC
SCHEMBL6946967 0.92 ADAM17 (0.55) ADAM17ALDH1A1GAATGFBR1MEN1
SCHEMBL6943561 0.92 ADAM17 (0.67) ADAM17ALDH1A1GAATGFBR1CTSC
SCHEMBL6939914 0.92 ADAM17 (0.57) ADAM17ALDH1A1GAATGFBR1CTSC
SCHEMBL6947109 0.92 ADAM17 (0.57) ADAM17ALDH1A1GAATGFBR1CTSC
SCHEMBL6939910 0.92 ADAM17 (0.57) ADAM17ALDH1A1GAATGFBR1CTSC
SCHEMBL6946929 0.91 ADAM17 (0.55) ADAM17TGFBR1CTSCP2RX3APP
SCHEMBL6945556 0.91 ADAM17 (0.58) ADAM17TGFBR1P2RX3APPMMP2
SCHEMBL6942461 0.91 ADAM17 (0.56) ADAM17TGFBR1P2RX3APPMMP2

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 4 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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed