SCHEMBL5972758

SCHEMBL5972758

CCOC(=O)CC(CC(=O)OCC)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ NLRP3 Q96P20 4/20 0.46
▸ F2 P00734 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ F10 P00742 2/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27544216 0.94 ALDH1A1 (0.47) TSHRALDH1A1NLRP3F2MEN1
SCHEMBL28599329 0.87 NLRP3 (0.48) TSHRALDH1A1NLRP3F2F10
SCHEMBL5972821 0.85 ALDH1A1 (0.47) TSHRALDH1A1NLRP3ESR1TDP1
SCHEMBL2320013 0.85 ALDH1A1 (0.47) TSHRALDH1A1NLRP3F2MEN1
SCHEMBL12499810 0.85 ALDH1A1 (0.47) TSHRALDH1A1NLRP3F2MEN1
SCHEMBL10249906 0.85 TSHR (0.47) TSHRALDH1A1NLRP3F2MEN1
SCHEMBL23209997 0.83 TSHR (0.46) TSHRALDH1A1NLRP3F2MEN1
SCHEMBL29619719 0.83 TSHR (0.46) TSHRALDH1A1NLRP3F2MEN1
Hydrochloric Acid SCHEMBL2319627 0.83 ALDH1A1 (0.46) TSHRALDH1A1NLRP3F2MEN1
SCHEMBL7628826 0.82 TSHR (0.44) TSHRALDH1A1NLRP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113179643-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2021-07-27 — — CN disclosed
EP-1082359-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2006-07-19 — — EP disclosed
US-6541582-B1 Catalytic polymerization of propylene via magnesium chloride, titanium chloride, and beta-substituted glutarates; stereospecificity; high isotactic index expressed in terms of high xylene insolubility BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-04-01 — — US disclosed
EP-1082359-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Technology Company B.V. (NL) 2001-03-14 — — EP disclosed
WO-2000055215-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY COMPANY B.V. (NL) 2000-09-21 — — WO disclosed
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