SCHEMBL6942318

SCHEMBL6942318

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)C1CCCCC1)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.62
APP P05067 2/20 0.41
MMP2 P08253 12/20 0.38
MMP3 P08254 9/20 0.38
MMP7 P09237 8/20 0.38
MMP1 P03956 8/20 0.38
MMP9 P14780 5/20 0.38
MMP14 P50281 3/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
MMP12 P39900 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ANPEP P15144 3/20 0.37
LTA4H P09960 2/20 0.37
LAP3 P28838 1/20 0.37
NPEPPS P55786 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
MMP10 P09238 1/20 0.36
PSEN1 P49768 1/20 0.36

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
SCHEMBL6980527 0.91 ADAM17 (0.61) ADAM17APPMMP2MMP3MMP7
SCHEMBL6982408 0.91 ADAM17 (0.61) ADAM17APPMMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6984184 0.90 ADAM17 (0.60) ADAM17APPMMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6983130 0.89 ADAM17 (0.56) ADAM17APPMMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6984700 0.88 ADAM17 (0.61) ADAM17APPMMP2MMP3MMP7
SCHEMBL6984415 0.88 ADAM17 (0.59) ADAM17APPMMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6984773 0.86 ADAM17 (0.57) ADAM17APPMMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6984250 0.86 ADAM17 (0.57) ADAM17APPMMP2MMP3MMP7
SCHEMBL6979784 0.86 ADAM17 (0.59) ADAM17APPMMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6983264 0.86 ADAM17 (0.61) ADAM17APPMMP2MMP3MMP7

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