SCHEMBL28004283

SCHEMBL28004283

C=CCC(CC=C)(C(=O)OCC)C(=O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HCAR2 Q8TDS4 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
NAAA Q02083 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 1/20 0.34
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3965127 0.95 TSHR (0.53) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL28554034 0.90 TSHR (0.47) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL12933672 0.90 MEN1 (0.40) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL283884 0.88 MEN1 (0.46) TSHRALDH1A1HCAR2MEN1KMT2A
SCHEMBL28248194 0.87 TSHR (0.49) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL28248189 0.87 TSHR (0.49) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL28248750 0.85 TSHR (0.47) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL28004303 0.85 TSHR (0.47) TSHRHPGDATMALDH1A1HCAR2
SCHEMBL9478485 0.85 MEN1 (0.42) TSHRHPGDATMALDH1A1MEN1
SCHEMBL819656 0.84 TSHR (0.38) TSHRHPGDATMALDH1A1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104558290-A Components of catalyst for polymerization of olefins and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558291-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558293-A Catalyst component for olefin polymerization and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558292-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-104558290-A Components of catalyst for polymerization of olefins and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed
CN-104558291-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed
CN-104558293-A Catalyst component for olefin polymerization and catalyst CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed
CN-104558292-A Preparation method of catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed