SCHEMBL8412797

SCHEMBL8412797

O=C(O)c1ccc(C(=O)OC(C2CCC(CO)CC2)C2CCC(CO)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MAPT P10636 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
KMT2A Q03164 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL8412660 0.86 NR1H4 (0.41) MAPTCA12CA1CA2CA9
SCHEMBL6152538 0.83 CYP4F2 (0.38) CYP4F2CYP4A11MAPTPDCD1CD274
SCHEMBL23466843 0.81 LMNA (0.47) PDCD1CD274KMT2ACA12CA1
SCHEMBL5859592 0.81 NR1H4 (0.35) CYP4F2CYP4A11MAPTPDCD1CD274
Terephthalic Acid SCHEMBL31485057 0.80 TSHR (0.55) KMT2ACA12CA1CA2CA7
Terephthalic Acid SCHEMBL87786 0.80 TSHR (0.55) KMT2ACA12CA1CA2CA7
SCHEMBL300467 0.79 TSHR (0.44) CYP4F2CYP4A11MAPTPDCD1CD274
SCHEMBL28806235 0.77 TSHR (0.55) PDCD1CD274KMT2ATP53TSHR
Terephthalic Acid SCHEMBL28820897 0.77 TSHR (0.50) KMT2ACA12CA1CA2CA7
Terephthalic Acid SCHEMBL2206532 0.77 TSHR (0.50) KMT2ACA12CA1CA2CA7

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