SCHEMBL7908776

SCHEMBL7908776

CC[C@](O)(Cc1ccccc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
FDPS P14324 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
RIPK1 Q13546 3/20 0.41
RECQL P46063 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MMP8 P22894 2/20 0.40
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
MAPK1 P28482 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 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
SCHEMBL7899656 1.00 HIF1A (0.48) HIF1ASMN1; SMN2SLC6A2TAAR1FDPS
SCHEMBL7899659 1.00 HIF1A (0.48) HIF1ASMN1; SMN2SLC6A2TAAR1FDPS
SCHEMBL4559206 0.90 ABCC4 (0.44) HIF1ASMN1; SMN2TAAR1CYP1A2CYP2C9
SCHEMBL7908936 0.85 SMN1; SMN2 (0.52) HIF1ASMN1; SMN2SLC6A2TAAR1FDPS
SCHEMBL7908766 0.85 SMN1; SMN2 (0.52) HIF1ASMN1; SMN2SLC6A2TAAR1FDPS
SCHEMBL687447 0.85 SMN1; SMN2 (0.52) HIF1ASMN1; SMN2SLC6A2TAAR1FDPS
SCHEMBL8578371 0.83 SMN1; SMN2 (0.50) HIF1ASMN1; SMN2SLC6A2TAAR1FDPS
SCHEMBL8578380 0.83 SMN1; SMN2 (0.50) HIF1ASMN1; SMN2SLC6A2TAAR1FDPS
SCHEMBL29985359 0.83 GAA (0.46) HIF1ASMN1; SMN2SLC6A2TAAR1FDPS
SCHEMBL12315581 0.80 GAA (0.50) HIF1ASMN1; SMN2KMT2AARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207862-B1 PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, BIOCATALYTICS, INC. 2001-03-27 US disclosed