SCHEMBL901259

SCHEMBL901259

COC(C)C(NC(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PYGL P06737 1/20 0.35
CYP2C9 P11712 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31

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
SCHEMBL241112 0.83 PYGL (0.35) ALDH1A1SMN1; SMN2PYGLCYP2C9SLC1A3
SCHEMBL901563 0.83 PYGL (0.35) ALDH1A1SMN1; SMN2PYGLCYP2C9SLC1A3
SCHEMBL903751 0.83 PYGL (0.35) ALDH1A1SMN1; SMN2PYGLCYP2C9SLC1A3
SCHEMBL6121051 0.83 PYGL (0.35) ALDH1A1SMN1; SMN2PYGLCYP2C9SLC1A3
SCHEMBL901561 0.83 PYGL (0.35) ALDH1A1SMN1; SMN2PYGLCYP2C9SLC1A3
SCHEMBL193140 0.83 PYGL (0.35) ALDH1A1SMN1; SMN2PYGLCYP2C9SLC1A3
SCHEMBL8847348 0.81 TRPV1 (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL1534816 0.81 PIN1 (0.34) ALDH1A1TRPV1MEN1KMT2A
SCHEMBL8847352 0.81 TRPV1 (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL27258247 0.79 ADAM17 (0.37) ALDH1A1TRPV1MEN1KMT2A

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
US-8969620-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-03-03 US claimed
US-8969620-B2 Process for the preparation of amino acid derivatives UCB PHARMA GMBH (DE) 2015-03-03 US disclosed