SCHEMBL8974998

SCHEMBL8974998

O=C(O)C(CO)NC(=O)C(CO)NC(=O)C(CS)NCC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.44
MME P08473 6/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TGFBR1 P36897 3/20 0.39
FOLH1 Q04609 1/20 0.35
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2633849 1.00 ACE (0.44) ACEMMEKDM4EMAPTTHRB
SCHEMBL5967472 0.98 ACE (0.45) ACEMMEKDM4EMAPTTHRB
SCHEMBL5967479 0.98 ACE (0.45) ACEMMEKDM4EMAPTTHRB
SCHEMBL321603 0.85 KDM4E (0.44) ACEMMEKDM4EMAPTTHRB
SCHEMBL321604 0.85 KDM4E (0.44) ACEMMEKDM4EMAPTTHRB
Glycerin SCHEMBL28033837 0.81 MME (0.43) ACEMMEKDM4EMAPTTHRB
SCHEMBL5712807 0.79 TGFBR1 (0.42) MMETGFBR1LMNACA1CA2
SCHEMBL5712806 0.79 TGFBR1 (0.42) MMETGFBR1LMNACA1CA2
SCHEMBL2633846 0.79 ACE (0.47) ACEMMEKDM4EMAPTTHRB
SCHEMBL627559 0.77 MME (0.48) ACEMMEKDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996010583-A1 VACCINE CONTAINING A HAEMOPROTEIN MALLINCKRODT VETERINARY, INC. (US) 1996-04-11 WO disclosed
EP-0703789-A1 VACCINE CONTAINING A SERINE PROTEASE Mallinckrodt Veterinary, Inc. (US) 1996-04-03 EP disclosed
EP-0666919-A1 VACCINE CONTAINING A THIOL PROTEASE Mallinckrodt Veterinary, Inc. (US) 1995-08-16 EP disclosed
WO-1994028925-A1 VACCINE CONTAINING A SERINE PROTEASE MALLINCKRODT VETERINARY INC. (US) 1994-12-22 WO disclosed
WO-1994009142-A1 VACCINE CONTAINING A THIOL PROTEASE MALLINCKRODT VETERINARY, INC. (US) 1994-04-28 WO disclosed