SCHEMBL10759727

SCHEMBL10759727

CCCOC(=O)c1cscc1OCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
LMNA P02545 2/20 0.42
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL10761258 0.79 TSHR (0.48) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL11721778 0.76 LMNA (0.46) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL9585682 0.75 ALDH1A1 (0.50) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL319822 0.75 MAPT (0.45) ALDH1A1CYP1A2LMNATP53KDM4E
SCHEMBL2949387 0.75 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2D6SCN1ASCN2A
SCHEMBL30697108 0.75 PTPN11 (0.43) ALDH1A1TSHRTP53KDM4E
SCHEMBL22987103 0.73 CYP1A2 (0.78) ALDH1A1CYP1A2CYP2D6SCN1ASCN2A
SCHEMBL6058822 0.72 TSHR (0.67) ALDH1A1LMNATSHRTDP1ESR1
Bicarbonate SCHEMBL5184161 0.72 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2D6SCN1ASCN2A
SCHEMBL14670152 0.72 THRB (0.42) ALDH1A1LMNATSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4695634-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1987-09-22 US disclosed
US-4622406-A CHEMICAL INTERMEDIATES, TRIMETHYLSILOXY COMPOUNDS PFIZER INC. (US) 1986-11-11 US disclosed
US-4562267-A Intermediates of hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1985-12-31 US disclosed
US-4423233-A ALPHA-HYDROXY CARBOXIMIDATE INTERMEDIATES PFIZER INC. (US) 1983-12-27 US disclosed
US-4381308-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-04-26 US disclosed
US-4332952-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1982-06-01 US disclosed