SCHEMBL6846988

SCHEMBL6846988

CCOC(=O)[C@@H]1NCCC1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.39
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.35
AGL P35573 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
SCHEMBL8427865 1.00 SPHK1 (0.39) SPHK1PPM1BPTPN1PPP1CCMAPT
SCHEMBL19973666 1.00 SPHK1 (0.39) SPHK1PPM1BPTPN1PPP1CCMAPT
SCHEMBL3388749 1.00 SPHK1 (0.39) SPHK1PPM1BPTPN1PPP1CCMAPT
SCHEMBL116264 1.00 SPHK1 (0.39) SPHK1PPM1BPTPN1PPP1CCMAPT
Hydrochloric Acid SCHEMBL4489520 0.98 SPHK1 (0.38) SPHK1PPM1BPTPN1PPP1CCMAPT
Hydrochloric Acid SCHEMBL953016 0.98 SPHK1 (0.38) SPHK1PPM1BPTPN1PPP1CCMAPT
Hydrochloric Acid SCHEMBL5578417 0.98 SPHK1 (0.38) SPHK1PPM1BPTPN1PPP1CCMAPT
SCHEMBL15955679 0.83 SPHK1 (0.44) SPHK1TSHR
SCHEMBL23555977 0.82 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCMAPT
SCHEMBL24524725 0.82 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed