1,4-Butanediol

1,4-Butanediol

SCHEMBL28822648

CC(C)C(=O)O.OCCCCO

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CAMK2A Q9UQM7 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
1,6-Hexanediol SCHEMBL8421542 0.97 GPR84 (0.50) GPR84FFAR1FFAR4CAMK2ATP53
1,6-Hexanediol SCHEMBL8420383 0.97 GPR84 (0.50) GPR84FFAR1FFAR4CAMK2ATP53
1,3-Propanediol SCHEMBL28283379 0.94 CAMK2A (0.43) GPR84FFAR1FFAR4CAMK2ATP53
1-Hexanol SCHEMBL2118314 0.87 TSHR (0.62) GPR84FFAR1FFAR4SMN1; SMN2TDP1
1-Hexanol SCHEMBL6112469 0.87 TSHR (0.62) GPR84FFAR1FFAR4SMN1; SMN2TDP1
Ethylene Glycol SCHEMBL2948674 0.87 TP53 (0.47) TP53CHRM1AKR1A1CHRM3HTR2A
Ethylene Glycol SCHEMBL8421397 0.87 TP53 (0.47) TP53CHRM1AKR1A1CHRM3HTR2A
Ethylene Glycol SCHEMBL2047290 0.87 TP53 (0.47) TP53CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28582030 0.85 BLM (0.47) GPR84FFAR1FFAR4CHRM1AKR1A1
1,4-Butanediol SCHEMBL29607591 0.85 GPR84 (0.43) GPR84FFAR1FFAR4CAMK2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103665387-B A kind of method preparing accurate polymer network SOUTHEAST UNIVERSITY (CN) 2015-11-18 CN claimed
CN-118119655-A Method for preparing melt-processible cellulose ester compositions comprising amorphous biofilm 伊士曼化工公司 2024-05-31 CN disclosed
CN-118076679-A Articles containing melt-processible cellulose ester compositions comprising amorphous biofilm 伊士曼化工公司 2024-05-24 CN disclosed
CN-118076680-A Melt-processible cellulose ester compositions comprising amorphous biofilm 伊士曼化工公司 2024-05-24 CN disclosed
CN-103665387-B A kind of method preparing accurate polymer network SOUTHEAST UNIVERSITY (CN) 2015-11-18 CN disclosed