1,3-Butanediol

1,3-Butanediol

SCHEMBL10355194

CC(O)CCO.CCCCOC(=O)CCCCC(=O)OCCCC

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
DGKA P23743 2/20 0.55
LMNA P02545 4/20 0.49
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DNM1 Q05193 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGLL Q99685 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
PRKCA P17252 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 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
1,3-Butanediol SCHEMBL10782372 0.94 MAPT (0.61) MAPTDGKALMNAKDM4EDUSP3
SCHEMBL10781722 0.90 MAPT (0.59) MAPTDGKALMNAKDM4EDUSP3
SCHEMBL19837596 0.88 MAPT (0.56) MAPTDGKALMNAKDM4EDUSP3
Propylene Glycol SCHEMBL10781715 0.88 MAPT (0.61) MAPTDGKALMNAKDM4EDUSP3
SCHEMBL11329144 0.86 MAPT (0.53) MAPTDGKALMNAKDM4EDUSP3
SCHEMBL27741513 0.85 DGKA (0.53) MAPTDGKALMNAKDM4EDUSP3
SCHEMBL9730363 0.85 DGKA (0.67) MAPTDGKALMNAKDM4EDUSP3
Propylene Glycol SCHEMBL3734196 0.85 MAPT (0.53) MAPTDGKALMNAKDM4EDUSP3
SCHEMBL10512716 0.84 MAPT (0.66) MAPTDGKALMNAKDM4EDUSP3
Ethylene Glycol SCHEMBL1359659 0.84 DGKA (0.69) MAPTDGKALMNAKDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219284-B1 Process for the preparation of an esterification and/or ester interchange catalyst Research Development Corporation of Japan (JP) 1990-10-03 EP disclosed
US-4705764-A Esterification and/or ester interchange catalyst RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1987-11-10 US disclosed
US-4661622-A FROM DIBASIC ACID, DIO, AND MONOVALENT ALCOHOL BY DEHYDRATING ESTERIFICATION, THEN ESTER INTERCHANGE MATSUMOTO SATOSHI (JP) 1987-04-28 US disclosed
EP-0219284-A1 Process for the preparation of an esterification and/or ester interchange catalyst Research Development Corporation of Japan (JP) 1987-04-22 EP disclosed