1,3-Propanediol

1,3-Propanediol

SCHEMBL3356738

O=C(O)c1ccc2cc(C(=O)O)ccc2c1.OCCCO

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
GRIN2D O15399 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
RARB P10826 3/20 0.47
RARG P13631 3/20 0.47
RARA P10276 2/20 0.47
PTPN1 P18031 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ENPP2 Q13822 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
1,4-Butanediol SCHEMBL9127352 0.96 KDM4E (0.55) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Ethylene Glycol SCHEMBL7527989 0.91 KDM4E (0.59) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Terephthalic Acid SCHEMBL7993200 0.89 KDM4E (0.57) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL18758 0.86 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL29594563 0.86 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL29359975 0.86 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6916181 0.86 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Alcohol SCHEMBL28996062 0.84 KDM4E (0.62) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Terephthalic Acid SCHEMBL1478940 0.84 TSHR (0.67) TSHRTP53ALDH1A1CA12CA1
Terephthalic Acid SCHEMBL2846917 0.84 TSHR (0.67) KDM4EPTPN1TSHRTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273850-B2 Blend of polypropylene-2,6-naphthalate (PPN) and a copolyester of PPN with a C4-C12 aliphatic diacid, along with phosphorus containing stabilizer; acceptably high glass transition temperatures for \"green\" content renewable polymer E I DU PONT DE NEMOURS AND COMPANY (US) 2012-09-25 US disclosed
US-20100151167-A1 POLYESTER COMPOSITIONS FROM BIOLOGICALLY-DERIVED MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-17 US disclosed
US-20100151165-A1 POLYESTER COMPOSITIONS FROM BIOLOGICALLY-DERIVED MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-17 US disclosed