SCHEMBL7137802

SCHEMBL7137802

CCC(C)CN(C(=O)N[C@@H](CCc1ccccc1)C(=O)CO)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
CTSS P25774 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
SYK P43405 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
REN P00797 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36

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
SCHEMBL7136764 0.89 SMN1; SMN2 (0.42) CTSKSMN1; SMN2CTSLCTSB
SCHEMBL7134725 0.83 CTSK (0.41) CTSKCTSSSYKHDAC1
SCHEMBL7140706 0.83 CTSK (0.40) CTSKCTSSHDAC3HDAC1HDAC2
SCHEMBL7797057 0.81 CTSK (0.42) CTSKCTSSCTSLCTSBREN
SCHEMBL7798639 0.79 CTSK (0.44) CTSKCTSSSMN1; SMN2SYKCTSL
SCHEMBL7133729 0.79 SMN1; SMN2 (0.42) CTSKSMN1; SMN2CTSLCTSB
SCHEMBL7139858 0.79 CTSS (0.43) CTSKCTSSCTSLCTSBREN
SCHEMBL7136441 0.79 SMN1; SMN2 (0.40) SMN1; SMN2CTSLCTSB
SCHEMBL7133720 0.78 MEN1 (0.43) CTSKCTSS
SCHEMBL7130607 0.77 SMN1; SMN2 (0.42) CTSKSMN1; SMN2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506775-B1 Treatment of a gastrointestinal disorder; a central nervous system (CNS) adverse conditions caused by Heliobacter pylori; or angiogenesis especially CNS disorders in a mammalian subject, especially humans. PFIZER INC 2003-01-14 US disclosed