SCHEMBL6942458

SCHEMBL6942458

CC(C)CC(/C=C\c1ccccc1)[C@H](C(=O)OC(C)(C)C)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.37
MAPT P10636 6/20 0.36
MAPK1 P28482 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 2/20 0.36
PSMB5 P28074 1/20 0.36
NPSR1 Q6W5P4 5/20 0.36
POLB P06746 4/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 2/20 0.36
REN P00797 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL6943368 1.00 ADAM17 (0.37) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6979636 0.93 ADAM17 (0.35) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6986700 0.92 PSMB5 (0.36) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6983531 0.92 REN (0.41) MAPTMAPK1ATMPSMB5NPSR1
SCHEMBL6981635 0.91 MAPT (0.35) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6983731 0.89 MAPT (0.36) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6984926 0.89 REN (0.39) ADAM17MAPK1KMT2AATMMEN1
SCHEMBL6985082 0.89 CTSS (0.35) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6986589 0.89 PSMB5 (0.34) ADAM17MAPTMAPK1KMT2AATM
SCHEMBL6982391 0.88 RAB9A (0.41) ADAM17MAPTMAPK1KDM4E

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