SCHEMBL2203499

SCHEMBL2203499

CCCCOC(=O)c1ccc(-c2ccccc2)c(C(=O)OCCCC)c1C(=O)OCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
MAPK1 P28482 3/20 0.55
CYP3A4 P08684 2/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 6/20 0.55
LMNA P02545 3/20 0.54
HSD17B10 Q99714 2/20 0.54
EGFR P00533 1/20 0.50
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
CNR2 P34972 1/20 0.47
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL30488959 1.00 TSHR (0.60) TSHRTDP1L3MBTL1SCN1ASCN2A
SCHEMBL27364778 0.89 TSHR (0.65) TSHRTDP1L3MBTL1SCN1ASCN2A
SCHEMBL30488962 0.85 TSHR (0.56) TSHRTDP1SCN1ASCN2ASCN3A
SCHEMBL2200758 0.85 TSHR (0.56) TSHRTDP1SCN1ASCN2ASCN3A
SCHEMBL3264094 0.85 TSHR (0.66) TSHRTDP1L3MBTL1SCN1ASCN2A
SCHEMBL9247524 0.84 ALDH1A1 (0.59) TSHRTDP1L3MBTL1SCN1ASCN2A
SCHEMBL6399743 0.84 ALDH1A1 (0.67) TSHRTDP1L3MBTL1SCN1ASCN2A
SCHEMBL28997694 0.84 TSHR (0.50) TSHRTDP1L3MBTL1SCN1ASCN2A
SCHEMBL28029433 0.84 ALDH1A1 (0.67) TSHRTDP1L3MBTL1SCN1ASCN2A
SCHEMBL9587934 0.83 ALDH1A1 (0.61) TSHRTDP1L3MBTL1SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345675-B1 A CATALYST FOR HOMOPOLYMERIZING AND COPOLYMERIZING PROPYLENE AND ITS PREPARATION AND USE PETROCHINA CO LTD (CN) 2017-11-08 EP disclosed
US-8470941-B2 Catalyst for homopolymerizing and copolymerizing propylene and its preparation and use PETROCHINA COMPANY LIMITED (CN) 2013-06-25 US disclosed
US-20110207900-A1 CATALYST FOR HOMOPOLYMERIZING AND COPOLYMERIZING PROPYLENE AND ITS PREPARATION AND USE PETROCHINA COMPANY LIMITED (CN) 2011-08-25 US disclosed
EP-2345675-A1 A CATALYST FOR HOMOPOLYMERIZING AND COPOLYMERIZING PROPYLENE AND ITS PREPARATION AND USE Petrochina Company Limited (CN) 2011-07-20 EP disclosed