SCHEMBL30869983

SCHEMBL30869983

CC(C)CC[C@H](NO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
FOLH1 Q04609 8/20 0.40
MME P08473 1/20 0.39
NAALAD2 Q9Y3Q0 4/20 0.39
BLM P54132 2/20 0.39
MAPT P10636 2/20 0.38
ACE P12821 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA1 P00915 1/20 0.36
RIMKLA Q8IXN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 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
SCHEMBL29657364 0.81 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2ASLC1A3
SCHEMBL21635774 0.81 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2ASLC1A3
SCHEMBL882883 0.81 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2ASLC1A3
SCHEMBL16658841 0.79 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2ASLC1A3
SCHEMBL1415449 0.79 NOD1 (0.45) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL2172011 0.78
SCHEMBL1604327 0.78
SCHEMBL7450904 0.78 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL818702 0.78 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL818701 0.78 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AFOLH1

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
CN-117925548-A Fe (II)/alpha-KG dioxygenase mutant for synthesizing 5-hydroxy-L-homoleucine and application thereof 江南大学 2024-04-26 CN disclosed