SCHEMBL3820299

SCHEMBL3820299

CCOc1cccc(CCC(C)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.53
CYSLTR1 Q9Y271 2/20 0.53
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ALDH1A1 P00352 2/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL24440174 0.85 TAAR1 (0.53) L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL28560495 0.84 FFAR1 (0.52) CYSLTR2CYSLTR1MAPK1L3MBTL1TSHR
SCHEMBL21548163 0.82 CHRM2 (0.54) MAPK1L3MBTL1TSHRTDP1SMN1; SMN2
SCHEMBL4995020 0.80 CA1 (0.44) CYSLTR2CYSLTR1MAPK1L3MBTL1TSHR
SCHEMBL1205963 0.79 FFAR1 (0.61) SMN1; SMN2PPARAPPARGCHRM2CHRM1
SCHEMBL29096867 0.78 MAPK1 (0.46) MAPK1L3MBTL1TSHRTDP1SMN1; SMN2
SCHEMBL30963031 0.77 MEN1 (0.50) L3MBTL1TSHRAKR1C3LTB4R
SCHEMBL27575901 0.77 OPRK1 (0.53) TSHRCHRM2CHRM1CHRM3
SCHEMBL17929000 0.77 MEN1 (0.50) L3MBTL1TSHRAKR1C3LTB4R
SCHEMBL27681595 0.77 TSHR (0.49) CYSLTR2CYSLTR1TSHRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355955-B1 CATALYST FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2009-08-26 EP claimed
US-6906154-B2 Catalyst for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-06-14 US claimed
EP-1355955-A1 CATALYST FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.p.A. (IT) 2003-10-29 EP claimed
US-20030027715-A1 Catalyst for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A (IT) 2003-02-06 US claimed
WO-2002044219-A1 CATALYST FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2002-06-06 WO claimed
EP-1355955-B1 CATALYST FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2009-08-26 EP disclosed