SCHEMBL30799341

SCHEMBL30799341

CCOC(=O)NCCC(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
CASR P41180 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MMP8 P22894 1/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL10440897 0.86 NPC1 (0.57) SMN1; SMN2LMNAPOLBNPC1RAB9A
SCHEMBL28491869 0.85 SMN1; SMN2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28088132 0.84 SLC1A3 (0.61) SMN1; SMN2LMNAKMT2AMAPTSLC1A3
SCHEMBL1950765 0.84 SMN1; SMN2 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4583816 0.81 MEN1 (0.54) MTNR1AMTNR1BGAAKMT2ACNR1
SCHEMBL25496788 0.79 SMN1; SMN2 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5696631 0.76 NPC1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1948022 0.76 SLC6A2 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4450825 0.76 HTR2A (0.60) MTNR1AMTNR1BSMN1; SMN2LMNAKMT2A
SCHEMBL29182065 0.76 CNR1 (0.60) CASRMTNR1AMTNR1BSMN1; SMN2CNR1

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-117551004-A Synthesis method of amino acid and amino alcohol compound 四川大学 2024-02-13 CN disclosed