SCHEMBL8894920

SCHEMBL8894920

C=CC(=O)OCCOC(=O)/C=C\C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
ALDH1A1 P00352 4/20 0.59
TP53 P04637 3/20 0.59
HIF1A Q16665 3/20 0.59
HSD17B10 Q99714 1/20 0.59
HCAR2 Q8TDS4 7/20 0.54
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
CYP3A4 P08684 2/20 0.54
HPGD P15428 1/20 0.53
THRB P10828 2/20 0.49
ATM Q13315 1/20 0.47
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39

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
SCHEMBL12310431 1.00 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10080349 0.92 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29090870 0.92 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9159442 0.89 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17187306 0.89 HCAR2 (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9159451 0.89 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL956149 0.89 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
Dimethyl Maleate SCHEMBL28099231 0.88 TSHR (0.73) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12607041 0.83 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12607042 0.83 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922739-A Copolymers comprising polysiloxane macromonomer units, process for their preparation and their use in coating compositions and polymeric moulding compounds 毕克化学有限公司 2018-04-17 CN disclosed
CN-107849358-A Copolymers containing polyether-polysiloxane macromonomer units, process for their preparation and their use in coating compositions and polymer moulding compounds 毕克化学有限公司 2018-03-27 CN disclosed
US-5700455-A MODIFIED HYDROCOLLOIDS PERMETHYL SPECIALTIES, L.L.C. (US) 1997-12-23 US disclosed
WO-1996017582-A1 WATER SOLUBLE, BIODEGRADABLE POLYMERIC MATERIALS FOR SKIN CARE, HAIR CARE AND COSMETIC APPLICATIONS PERMETHYL SPECIALTIES L.L.C. (US) 1996-06-13 WO disclosed