SCHEMBL9800219

SCHEMBL9800219

CC(C)(C)OC(=O)[C@@](CCCC(N)Cl)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
LTA4H P09960 1/20 0.40
CTSS P25774 3/20 0.39
PPARA Q07869 1/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 3/20 0.39
CTSB P07858 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 0.38
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PSMB5 P28074 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
ACP1 P24666 1/20 0.38

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
SCHEMBL7389000 0.86 MEN1 (0.45) SYKMEN1KMT2AMAPTCTSS
SCHEMBL9073508 0.86 MEN1 (0.45) SYKMEN1KMT2AMAPTCTSS
SCHEMBL8931457 0.78 SYK (0.44) SYKMEN1KMT2AMAPTCTSS
SCHEMBL16670771 0.76 KEAP1 (0.40) MEN1KMT2AMAPT
SCHEMBL10381912 0.74 LTA4H (0.50) SYKMAPTLTA4HCTSSPPARA
SCHEMBL1151094 0.74 MEN1 (0.56) SYKMEN1KMT2ACTSSPPARA
SCHEMBL7485771 0.74 SYK (0.48) SYKMEN1KMT2ACTSSPPARA
SCHEMBL11337810 0.74 PTPRB (0.46) SYKMEN1KMT2AMAPTCTSS
SCHEMBL3619287 0.71 PTPN2 (0.53) SYKMEN1KMT2ACTSSCTSK
SCHEMBL1151458 0.71 SYK (0.53) SYKMEN1KMT2AMAPTCTSS

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-5053488-A Gene expression of human hormones HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY & MEDICINE (AU) 1991-10-01 US disclosed
EP-0112149-B1 MOLECULAR CLONING AND CHARACTERIZATION OF A FURTHER GENE SEQUENCE CODING FOR HUMAN RELAXIN HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 1991-04-10 EP disclosed
EP-0267629-A2 Polypeptides having interleukin-1 activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1988-05-18 EP disclosed
EP-0112149-A2 Molecular cloning and characterization of a further gene sequence coding for human relaxin HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 1984-06-27 EP disclosed