1,4-Butanediol

1,4-Butanediol

SCHEMBL7638673

CCOC(=O)c1ccccc1OC(=O)Oc1ccccc1C(=O)OCC.OCCCCO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK10 P53779 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
CDC25B P30305 1/20 0.44

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
SCHEMBL7206354 0.98 TSHR (0.57) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL1283310 0.92 TSHR (0.69) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5706067 0.89 TSHR (0.65) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL4391361 0.87 TSHR (0.67) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL4397337 0.86 TSHR (0.61) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL2842657 0.86 TSHR (0.61) TSHRALDH1A1HSD17B10MAPTL3MBTL1
SCHEMBL1282822 0.85 TSHR (0.59) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5706118 0.85 TSHR (0.59) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL2910803 0.84 KDM4E (0.63) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL5706247 0.84 SLC6A3 (0.59) TSHRALDH1A1HSD17B10CYP1A2CYP2C9

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
US-6410777-B1 HALOGEN-FREE TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6300459-B1 TRANSESTERIFYING AROMATIC POLYCARBONATE AND ACTIVE-HYDROGEN COMPOUND UNDER REDUCED PRESSURE FOLLOWED BY REACTION WITH SPECIFIED SALICYLIC ESTER DERIVATIVE TEIJIN LIMITED (JP) 2001-10-09 US disclosed
EP-0982340-A1 PROCESS FOR PRODUCING AROMATIC POLYCARBONATE TEIJIN LIMITED (JP) 2000-03-01 EP disclosed
EP-0980861-A1 SALICYLIC ESTER DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2000-02-23 EP disclosed