SCHEMBL6943697

SCHEMBL6943697

CCC[C@](C(=O)NN)(C(=O)NCc1ccccc1)c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
ANPEP P15144 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
MMP8 P22894 2/20 0.32
RIPK1 Q13546 1/20 0.32
AKR1C4 P17516 3/20 0.32
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 2/20 0.32
AKR1C1 Q04828 1/20 0.32
CTSC P53634 1/20 0.32
MCL1 Q07820 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL6943537 0.94 MMP1 (0.35) MASP2MMP1MMP2MMP9MEN1
SCHEMBL6943055 0.93 PIN1 (0.34) MASP2MEN1KMT2ACTSC
SCHEMBL6943182 0.89 CTSC (0.34) MEN1KMT2ACTSC
SCHEMBL6985696 0.87 CTSC (0.35) MASP2MEN1KMT2ACTSC
SCHEMBL6945559 0.86 PIN1 (0.37) MEN1KMT2ACTSC
SCHEMBL6942465 0.84 PIN1 (0.32) MEN1KMT2ACTSC
SCHEMBL6940907 0.82 ADAM17 (0.33) MMP1MMP2MMP9MEN1KMT2A
SCHEMBL6987488 0.81 ADAM17 (0.31) CTSC
SCHEMBL6986164 0.81 ADAM17 (0.31) CTSC
SCHEMBL6940940 0.81 ADAM17 (0.35) MMP1MMP9MEN1KMT2ACTSC

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