SCHEMBL7920393

SCHEMBL7920393

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N[C@@H](C)[C]=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.58
CTSK P43235 6/20 0.53
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GFER P55789 1/20 0.51
CTSS P25774 3/20 0.50
CTSL P07711 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CTSB P07858 1/20 0.50
PREP P48147 1/20 0.50
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.49
PRCP P42785 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL27280340 0.88 CTRB1 (0.60) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL7106091 0.88 CTRB1 (0.64) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL11167627 0.88 CTRB1 (0.64) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL11450738 0.88 CTRB1 (0.64) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL11167632 0.88 CTRB1 (0.64) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL24513611 0.88 CTRB1 (0.64) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL7918687 0.88 CTRB1 (0.58) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL30754693 0.88 CTRB1 (0.58) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL11781980 0.87 CTRB1 (0.63) CTRB1CTSKNPSR1KMT2ATSHR
SCHEMBL24322559 0.86 CTRB1 (0.58) CTRB1CTSKNPSR1KMT2ATSHR

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-6228988-B1 SOLID PHASE SYNTHESIS BY FORMING MIXTURE OF LIQUID AND SOLID PHASE REACTION PRODUCT, CLEAVING PRODUCT FROM SOLID PHASE, DEPROTECTING THE NITROGEN IF NECESSARY, SEPARATING LIQUID AND SOLID REACTION PHASE, AND RECOVERING PRODUCT BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2001-05-08 US disclosed
US-6093798-A SOLID PHASE REACTION PRODUCT OF HYDROXYLAMINE OR PROTECTED HYDROXYLAMINE GROUPS LINKED TO INSOLUBLE SUPPORT THROUGH ACID OR PHOTOLYSIS CLEAVABLE LINKER; FOR PRODUCTION OF ENZYME INHIBITORS OF ZINC METALLOPROTEINASE ENZYMES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-07-25 US disclosed
US-5932695-A SOLID PHASE BIOSYNTHESIS; COMBINATORIAL LIBRARIES BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-08-03 US disclosed
EP-0811019-B1 SYNTHESIS OF HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 1999-04-07 EP disclosed