SCHEMBL6652841

SCHEMBL6652841

C=COC(=O)CCC.C=COC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ TSHR P16473 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ TPMT P51580 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CTNNB1 P35222 2/20 0.45
▸ WNT3A P56704 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MGLL Q99685 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
SCHEMBL30046045 0.87 TSHR (0.59) KDM4ETSHRMAPTCYP1A2CYP3A4
SCHEMBL543851 0.87 TSHR (0.59) KDM4ETSHRMAPTCYP1A2CYP3A4
Acetic Acid SCHEMBL27659229 0.83 CA12 (0.57) KDM4ETSHRMAPTCYP1A2CYP3A4
SCHEMBL25362419 0.80 MAPT (0.50) KDM4ETSHRMAPTCYP1A2CYP3A4
SCHEMBL9184022 0.80 TSHR (0.55) KDM4ETSHRMAPTCYP1A2CYP3A4
Benzoic Acid Vinyl Ester SCHEMBL10791986 0.77 LMNA (0.47) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25362422 0.76 KMT2A (0.62) KDM4EMAPTCYP1A2CYP3A4MAPK1
SCHEMBL6430392 0.75 MAPT (0.63) KDM4ETSHRMAPTCYP1A2CYP3A4
SCHEMBL6600362 0.74 CTNNB1 (0.71) KDM4ETSHRMAPTCYP1A2CYP3A4
SCHEMBL30313764 0.74 CTNNB1 (0.71) KDM4ETSHRMAPTCYP1A2CYP3A4

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
EP-1109863-B1 THERMOSETTING COMPOSITIONS CONTAINING CARBOXYLIC ACID FUNCTIONAL POLYMERS PREPARED BY ATOM TRANSFER RADICAL POLYMERIZATION PPG IND OHIO INC (US) 2004-06-16 — — EP disclosed
US-6670043-B2 For powder coatings PPG INDUSTRIES OHIO, INC. 2003-12-30 — — US disclosed
US-6638578-B2 As powder coatings PPG INDUSTRIES OHIO, INC. 2003-10-28 — — US disclosed
US-20020058757-A1 Thermosetting compositions containing carboxylic acid functional polymers prepared by atom transfer radical polymerization BARKAC KAREN A (US) 2002-05-16 — — US disclosed
US-20020054997-A1 Thermosetting compositions containing carboxylic acid functional polymers prepared by atom transfer radical polymerization BARKAC KAREN A (US) 2002-05-09 — — US disclosed
US-6339126-B1 IN POWDER COATINGS PPG INDUSTRIES OHIO, INC. 2002-01-15 — — US disclosed
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