SCHEMBL22115803

SCHEMBL22115803

COCCOC(=O)CC(C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MET P08581 1/20 0.33
PRKCA P17252 1/20 0.33
DGKA P23743 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL2256279 0.83 MMP1 (0.41) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL22115789 0.80 ALDH1A1 (0.50) TSHRALDH1A1TDP1PRKCADGKA
SCHEMBL15383208 0.79 TSHR (0.37) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11853149 0.78 TSHR (0.36) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL18356850 0.78 TSHR (0.36) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL19514131 0.78 MMP1 (0.37) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL22115798 0.78 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL813422 0.77 TSHR (0.42) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL9936197 0.77 TSHR (0.38) TSHRALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10289814 0.76 MGAM (0.50) TSHRALDH1A1CYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427657-B2 Solid catalyst for propylene polymerization and method of producing block copolymer using the same HANWHA TOTAL PETROCHEMICAL CO., LTD. (KR) 2022-08-30 US disclosed
US-20200199266-A1 Solid Catalyst For Propylene Polymerization And Method Of Producing Block Copolymer Using The Same HANWHA TOTALENERGIES PETROCHEMICAL CO., LTD. (KR) 2020-06-25 US disclosed
EP-3670546-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND METHOD OF PRODUCING BLOCK COPOLYMER USING THE SAME Hanwha Total Petrochemical Co., Ltd. (KR) 2020-06-24 EP disclosed