SCHEMBL701700

SCHEMBL701700

C=CCOC(=O)[C@H](CBr)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 10/20 0.40
CTSS P25774 6/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CACNA1B Q00975 1/20 0.35
CYP2D6 P10635 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
SCHEMBL4371611 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL4427686 0.89 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1701200 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL27895527 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15722121 0.85 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL28968948 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15722123 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL28968951 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL7690020 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL7765475 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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
US-8124368-B2 Fluorogenic protein kinase substrates Life Technologies Corporation (US) 2012-02-28 US disclosed
EP-2063915-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES Invitrogen Corporation (US) 2009-06-03 EP disclosed
WO-2008016762-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-02-07 WO disclosed
US-20080009026-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-01-10 US disclosed