SCHEMBL630940

SCHEMBL630940

CC(C)(C)OC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.59
CMA1 P23946 5/20 0.52
GFER P55789 1/20 0.50
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CACNA1B Q00975 1/20 0.49
ACE P12821 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL630348 1.00 CTRB1 (0.59) CTRB1CMA1GFERCTSBCTSS
SCHEMBL629894 0.92 CTRB1 (0.56) CTRB1CMA1CTSBCTSSCTSK
SCHEMBL630484 0.92 CTRB1 (0.56) CTRB1CMA1CTSBCTSSCTSK
Iodomethane SCHEMBL5183466 0.91 CTRB1 (0.55) CTRB1CMA1CTSBCTSSCTSK
SCHEMBL19639223 0.88 CTRB1 (0.67) CTRB1GFERNPSR1ACETSHR
SCHEMBL7702739 0.86 CTRB1 (0.69) CTRB1GFERNPSR1ACETSHR
SCHEMBL30689117 0.84 CTRB1 (0.53) CTRB1CMA1ACEKMT2A
SCHEMBL20781286 0.83 KMT2A (0.51) CTRB1CMA1NPSR1ACEKMT2A
SCHEMBL13206954 0.83 CACNA1B (0.50) CMA1CTSSCTSKNPSR1CACNA1B
SCHEMBL21429800 0.83 YAP1 (0.59) CTRB1CMA1NPSR1ACEKMT2A

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
EP-1778637-B1 FKBP-binding composition and pharmaceutical use thereof AVENTIS PHARMA INC (US) 2012-02-22 EP disclosed