1,4-Butanediol

1,4-Butanediol

SCHEMBL8975571

C(OCC1CO1)C1CO1.CCCC(O)O.OCCCCO

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.38
PRKD3 O94806 2/20 0.32
PRKCG P05129 2/20 0.32
PRKCB P05771 2/20 0.32
PRKCA P17252 2/20 0.32
PRKCH P24723 2/20 0.32
PRKCI P41743 2/20 0.32
PRKCE Q02156 2/20 0.32
PRKCQ Q04759 2/20 0.32
PRKCZ Q05513 2/20 0.32
PRKCD Q05655 2/20 0.32
PRKD1 Q15139 2/20 0.32

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
SCHEMBL18110 0.91 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
1,6-Hexanediol SCHEMBL28268562 0.89 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TDP1TSHRPRKD3
Water SCHEMBL29133266 0.88 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Methylamine SCHEMBL28321012 0.88 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16423571 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL7136106 0.87 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28044375 0.86 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28240724 0.86 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16424486 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16423612 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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
US-5525645-A Resin composition for optical molding ASAHI DENKA KOGYO K.K. (JP) 1996-06-11 US disclosed