SCHEMBL6946879

SCHEMBL6946879

CC(C)C[C@@H](C(=O)NN1C(=O)CCCC1=O)C(C/C=C/c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.44
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTRB1 P17538 1/20 0.33
MMP2 P08253 8/20 0.33
MMP3 P08254 6/20 0.33
MMP7 P09237 5/20 0.33
MMP1 P03956 5/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 2/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL6946881 1.00 ADAM17 (0.44) ADAM17MEN1ALDH1A1LMNATSHR
SCHEMBL6946875 1.00 ADAM17 (0.44) ADAM17MEN1ALDH1A1LMNATSHR
SCHEMBL6946872 1.00 ADAM17 (0.44) ADAM17MEN1ALDH1A1LMNATSHR
SCHEMBL6943026 0.88 ADAM17 (0.56) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6943031 0.88 ADAM17 (0.56) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6943017 0.88 ADAM17 (0.56) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7940327 0.88 ADAM17 (0.56) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6943037 0.88 ADAM17 (0.56) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6220231 0.88 ADAM17 (0.43) ADAM17TSHRKMT2ACTRB1MMP2
SCHEMBL6220232 0.88 ADAM17 (0.43) ADAM17TSHRKMT2ACTRB1MMP2

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