SCHEMBL7837441

SCHEMBL7837441

CSCC[C@H](N)C(=O)OC(=O)c1nccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
RAB9A P51151 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
CTSC P53634 2/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.36
MARS1 P56192 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34

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
SCHEMBL28126937 0.83 HDAC3 (0.40) CNR2RAB9AHDAC3HDAC4HDAC1
SCHEMBL9846443 0.75 METAP2 (0.43) CTSC
SCHEMBL6668784 0.75 MARS1 (0.43) KMT2AMARS1
SCHEMBL8790433 0.74 KMT2A (0.60) CNR2RAB9AKMT2AAPOBEC3G
SCHEMBL7848067 0.74 KMT2A (0.60) CNR2RAB9AKMT2AAPOBEC3G
SCHEMBL11750089 0.74 MARS1 (0.42) KMT2AMARS1
SCHEMBL4122649 0.72 KMT2A (0.58) CNR2RAB9ANPC1KMT2A
SCHEMBL7837437 0.71 KMT2A (0.51) RAB9AKMT2A
SCHEMBL7837444 0.71 KMT2A (0.51) RAB9AKMT2A
Phenanthrene SCHEMBL29137099 0.71 KIF11 (0.45) CTSCKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015439-A4 PRENYL TRANSFERASE INHIBITORS BIOMEASURE INC (US) 2001-10-17 EP disclosed
EP-1087981-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-04-04 EP disclosed
EP-1015439-A1 PRENYL TRANSFERASE INHIBITORS BIOMEASURE, INC. (US) 2000-07-05 EP disclosed
WO-1999065922-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 1999-12-23 WO disclosed
US-5767274-A TREATING TUMORS OR RESTENOSIS BIOMEASURE, INCORPORATED (US) 1998-06-16 US disclosed
WO-1998000411-A1 PRENYL TRANSFERASE INHIBITORS BIOMEASURE INCORPORATED (US) 1998-01-08 WO disclosed