SCHEMBL6942465

SCHEMBL6942465

CCC[C@](C(=O)NN)(C(=O)NCC)c1ccc(C)cc1[C@H](C/C=C/c1ccccc1)C(=O)NOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.32
CTSC P53634 1/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6943055 0.91 PIN1 (0.34) PIN1CTSCLMNAL3MBTL1KMT2A
SCHEMBL6945559 0.89 PIN1 (0.37) PIN1CTSCLMNAL3MBTL1KMT2A
SCHEMBL6945039 0.84 TGFBR1 (0.33)
SCHEMBL6943697 0.84 MASP2 (0.34) CTSCKMT2AMEN1
SCHEMBL6940085 0.83 MASP2 (0.33) LMNAHTTSMN1; SMN2
SCHEMBL6943182 0.83 CTSC (0.34) PIN1CTSCLMNAL3MBTL1KMT2A
SCHEMBL6943537 0.82 MMP1 (0.35) PIN1LMNAKMT2AMEN1MAPT
SCHEMBL6985696 0.81 CTSC (0.35) CTSCLMNAL3MBTL1KMT2AMEN1
SCHEMBL6940166 0.77 TGFBR1 (0.34)
SCHEMBL6987488 0.75 ADAM17 (0.31) CTSC

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