SCHEMBL23568002

SCHEMBL23568002

O=C(CCCOC(=O)CNC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TPSAB1 Q15661 1/20 0.49
TPSD1 Q9BZJ3 1/20 0.49
TPSG1 Q9NRR2 1/20 0.49
CASP1 P29466 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
TGM2 P21980 1/20 0.47
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL24938498 0.92 PPID (0.50) HTTLMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18686234 0.89 SYK (0.52) HTTLMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10081124 0.88 LMNA (0.63) HTTLMNASMN1; SMN2TPSAB1TPSD1
SCHEMBL18668821 0.88 CYP1A2 (0.49) HTTLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL15561412 0.87 HTT (0.51) HTTLMNASMN1; SMN2TPSAB1TPSD1
SCHEMBL23567825 0.86 L3MBTL1 (0.58) HTTLMNASMN1; SMN2TPSAB1TPSD1
SCHEMBL15561306 0.86 HTT (0.50) HTTLMNASMN1; SMN2TPSAB1TPSD1
SCHEMBL15561324 0.86 HTT (0.50) HTTLMNASMN1; SMN2TPSAB1TPSD1
SCHEMBL15561395 0.86 HTT (0.50) HTTLMNASMN1; SMN2TPSAB1TPSD1
SCHEMBL15561357 0.86 HTT (0.50) HTTLMNASMN1; SMN2TPSAB1TPSD1

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
WO-2021127461-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XW LABORATORIES LIMITED (CN) 2021-06-24 WO disclosed