SCHEMBL8412660

SCHEMBL8412660

O=C(O)c1cccc(C(=O)OC(C2CCC(CO)CC2)C2CCC(CO)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.41
KMO O15229 1/20 0.38
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
APEX1 P27695 1/20 0.35
PPM1D O15297 1/20 0.35
FOLH1 Q04609 2/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
CREBBP Q92793 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL8412797 0.86 CYP4F2 (0.38) NR1H4EPHX1NPC1MAPTHTT
Isophthalic Acid SCHEMBL17628646 0.83 KMO (0.50) NR1H4KMOMRGPRX4APEX1FOLH1
SCHEMBL4649340 0.82 KMO (0.44) NR1H4KMOEPHX1NPC1MAPT
Terephthalic Acid SCHEMBL9862718 0.80 KMO (0.47) NR1H4KMOFOLH1L3MBTL3CREBBP
SCHEMBL7789361 0.80 NR1H4 (0.46) NR1H4KMOMRGPRX4
SCHEMBL7877712 0.77 SMYD3 (0.43) NPC1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL28806235 0.76 TSHR (0.55) NPC1HTTRAB9ASMN1; SMN2SLC6A4
SCHEMBL15729535 0.75 NR1H4 (0.44) NR1H4KMONPC1MAPTHTT
Benzoic Acid SCHEMBL17797781 0.73 TSHR (0.58) KMOMAPTSMN1; SMN2
Benzoic Acid SCHEMBL532786 0.73 TSHR (0.58) KMOMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849849-A Polyesters production process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-12-15 US claimed
US-5811496-A Process for polymerization of polyester oligomers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-22 US claimed
US-5688898-A Polyesters production process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-18 US claimed
US-5677415-A Apparatus and process for a polycondensation reaction E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-10-14 US claimed
US-5891985-A Soluble mono-alkyl stannoic acid catalyst and its use in preparing high molecular weight polyesters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-06 US disclosed
US-5856423-A Apparatus and process for a polycondensation reaction E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-05 US disclosed
US-5849849-A Polyesters production process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-12-15 US disclosed
US-5811496-A Process for polymerization of polyester oligomers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-09-22 US disclosed
US-5688898-A Polyesters production process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-18 US disclosed
US-5677415-A Apparatus and process for a polycondensation reaction E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-10-14 US disclosed