SCHEMBL8416587

SCHEMBL8416587

CC(=O)OCC(O)CO.[KH]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DUSP3 P51452 1/20 0.48
ALDH1A1 P00352 5/20 0.42
USP2 O75604 5/20 0.42
CYP3A4 P08684 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DGKA P23743 1/20 0.41
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.40
FAAH O00519 2/20 0.39

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
SCHEMBL33457 0.98
SCHEMBL29619673 0.98
SCHEMBL19560102 0.98
SCHEMBL2383959 0.98 LMNA (0.50) LMNAMEN1KMT2AKDM4EDUSP3
SCHEMBL28286833 0.95 LMNA (0.48) LMNAMEN1KMT2AKDM4EDUSP3
SCHEMBL28113653 0.95 LMNA (0.48) LMNAMEN1KMT2AKDM4EDUSP3
SCHEMBL29000916 0.95 LMNA (0.48) LMNAMEN1KMT2AKDM4EDUSP3
SCHEMBL29159555 0.95 LMNA (0.48) LMNAMEN1KMT2AKDM4EDUSP3
SCHEMBL27802308 0.95 LMNA (0.48) LMNAMEN1KMT2AKDM4EDUSP3
SCHEMBL8638257 0.95 LMNA (0.48) LMNAMEN1KMT2AKDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941323-A1 BONE MORPHOGENETIC PROTEIN-16 (BMP-16) COMPOSITIONS GENETICS INSTITUTE, INC. (US) 1999-09-15 EP disclosed
WO-1998012322-A1 BONE MORPHOGENETIC PROTEIN-16 (BMP-16) COMPOSITIONS GENETICS INSTITUTE, INC. (US) 1998-03-26 WO disclosed