SCHEMBL5611986

SCHEMBL5611986

CC(C)COC(=O)C=C(CC(C)C)C(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
PRKCA P17252 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KISS1R Q969F8 1/20 0.31

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
SCHEMBL5611982 1.00 TSHR (0.50) TSHRALDH1A1HPGDPRKCANPSR1
SCHEMBL10786020 0.85 TSHR (0.46) TSHRALDH1A1HPGDPRKCATDP1
SCHEMBL5612299 0.85 TSHR (0.36) TSHRPRKCA
SCHEMBL29794852 0.82 TSHR (0.47) TSHRALDH1A1HPGDPRKCANPSR1
SCHEMBL5611935 0.81 NPSR1 (0.55) TSHRALDH1A1PRKCANPSR1TDP1
SCHEMBL5611944 0.81 NPSR1 (0.55) TSHRALDH1A1PRKCANPSR1TDP1
SCHEMBL6135791 0.80 TSHR (0.44) TSHRALDH1A1HPGDNPSR1TDP1
SCHEMBL6135787 0.80 TSHR (0.44) TSHRALDH1A1HPGDNPSR1TDP1
SCHEMBL29220345 0.79 TSHR (0.52) TSHRALDH1A1HPGDPRKCANPSR1
SCHEMBL5612059 0.78 TSHR (0.43) TSHRALDH1A1PRKCA

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
EP-1425317-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2007-12-19 EP disclosed
US-7015170-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2006-03-21 US disclosed
EP-1425317-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.p.A. (IT) 2004-06-09 EP disclosed
US-20040014595-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-01-22 US disclosed
WO-2003022894-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2003-03-20 WO disclosed