SCHEMBL14845872

SCHEMBL14845872

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.55
CTSK P43235 6/20 0.55
CTSL P07711 2/20 0.55
CTSB P07858 1/20 0.55
CAPN1 P07384 1/20 0.49
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AAK1 Q2M2I8 1/20 0.41
REN P00797 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
MEN1 O00255 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL14845880 0.97 CTSS (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL145280 0.80 EPHX1 (0.44) KMT2AGAAALDH1A1LMNAMEN1
SCHEMBL1268688 0.80 EPHX1 (0.44) KMT2AGAAALDH1A1LMNAMEN1
SCHEMBL79825 0.80 EPHX1 (0.44) KMT2AGAAALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL2417195 0.79 EPHX1 (0.43) KMT2AALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL2422106 0.79 EPHX1 (0.43) KMT2AALDH1A1LMNAMEN1
SCHEMBL13961183 0.77 HDAC4 (0.44) CTSSCTSKCAPN1KMT2AGAA
SCHEMBL27448658 0.76 CA1 (0.41) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL16528516 0.76 EPHX1 (0.47) CTSSCTSKGAALMNAHDAC4
SCHEMBL487705 0.76 EPHX1 (0.47) CTSSCTSKGAALMNAHDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605296-B2 Fluorogenic peptidase substrate ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-03-28 US disclosed
US-20140234887-A1 FLUOROGENIC PEPTIDASE SUBSTRATE CENTRE NATIONAL DE LA RECHERCHE SCIENTFIQUE (FR) 2014-08-21 US disclosed
WO-2013045854-A1 FLUOROGENIC PEPTIDASE SUBSTRATE ECOLE NORMALE SUPERIEURE DE LYON (FR) 2013-04-04 WO disclosed