SCHEMBL6047876

SCHEMBL6047876

C=CC(=O)OCC(C)C.O=C(O)C1=CCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 11/20 0.62
ALDH1A1 P00352 6/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 2/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30

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
Acrylic Acid Ethyl Ester SCHEMBL340906 0.83 TSHR (0.40) TSHRALDH1A1THRBHPGDTP53
SCHEMBL424013 0.81 TSHR (0.49) TSHRALDH1A1THRBHPGDTP53
SCHEMBL11615028 0.80 TSHR (0.58) TSHRALDH1A1THRBHPGDTP53
SCHEMBL424629 0.79 THRB (0.44) TSHRALDH1A1THRBHPGDTP53
SCHEMBL421575 0.79 TSHR (0.69) TSHRALDH1A1THRBHPGDCYP3A4
SCHEMBL16448 0.79
SCHEMBL28192845 0.79 TSHR (1.00) TSHRALDH1A1THRBHPGDTP53
SCHEMBL422877 0.78 TSHR (0.63) TSHRALDH1A1THRBHPGDTP53
Acrylic Acid Methyl Ester SCHEMBL678565 0.78 PTPN1 (0.37) TSHRTHRBLMNACHRM2CHRM4
SCHEMBL426982 0.77 TSHR (0.45) TSHRALDH1A1THRBHPGDTP53

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-2789655-B1 POLYPHENYLENE SULFIDE RESIN COMPOSITION, MOLDED ARTICLE OF POLYPHENYLENE SULFIDE RESIN COMPOSITION, AND METHOD FOR PRODUCING POLYPHENYLENE SULFIDE RESIN COMPOSITION TORAY INDUSTRIES (JP) 2017-03-08 EP disclosed
EP-2789655-A1 POLYPHENYLENE SULFIDE RESIN COMPOSITION, MOLDED ARTICLE OF POLYPHENYLENE SULFIDE RESIN COMPOSITION, AND METHOD FOR PRODUCING POLYPHENYLENE SULFIDE RESIN COMPOSITION Toray Industries, Inc. (JP) 2014-10-15 EP disclosed
EP-1549684-A4 IONOMER MODIFIED POLYPROPYLENE COMPOUND FOR SUPERIOR SCRATCH PERFORMANCE, LOW BLUSHING, AND MOLDED IN COLOR WITH CONTROLLABLE GLOSS SCHULMAN A INC (US) 2006-06-28 EP disclosed
EP-1549684-A2 IONOMER MODIFIED POLYPROPYLENE COMPOUND FOR SUPERIOR SCRATCH PERFORMANCE, LOW BLUSHING, AND MOLDED IN COLOR WITH CONTROLLABLE GLOSS A. Schulman Inc. (US) 2005-07-06 EP disclosed
WO-2004026913-A2 IONOMER MODIFIED POLYPROPYLENE COMPOUND FOR SUPERIOR SCRATCH PERFORMANCE, LOW BLUSHING, AND MOLDED IN COLOR WITH CONTROLLABLE GLOSS A. SCHULMAN INC. (US) 2004-04-01 WO disclosed
WO-2001068780-A2 POWDER COATING COMPOSITION COMPRISING A POLYOXYMETHYLENE RESIN E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-09-20 WO disclosed