SCHEMBL5612679

SCHEMBL5612679

CCCCOC(=O)C=C(C(=O)OCCCC)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 3/20 0.41
NAAA Q02083 2/20 0.38
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5612673 1.00 ATM (0.46) ATMTSHRHPGDHCAR2NAAA
SCHEMBL27619484 0.88 HCAR2 (0.41) ATMTSHRHPGDHCAR2NAAA
SCHEMBL28166491 0.82 TSHR (0.44) ATMTSHRHCAR2NAAANPSR1
SCHEMBL9364396 0.82 TSHR (0.42) TSHRHCAR2NAAANPSR1EPHX2
SCHEMBL9364395 0.82 TSHR (0.42) TSHRHCAR2NAAANPSR1EPHX2
SCHEMBL5612678 0.81 NPSR1 (0.50) ATMHPGDHCAR2MAPTNPSR1
SCHEMBL20530266 0.81 NPSR1 (0.50) ATMHPGDHCAR2MAPTNPSR1
SCHEMBL5612684 0.81 NPSR1 (0.50) ATMHPGDHCAR2MAPTNPSR1
SCHEMBL30769638 0.81 HCAR2 (0.45) ATMTSHRHPGDHCAR2NAAA
SCHEMBL5611998 0.80 NPSR1 (0.52) HCAR2RAB9AMAPTNPSR1ALDH1A1

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