SCHEMBL28817697

SCHEMBL28817697

CC(C)CC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1.O=C(/C=C\C(=O)OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.48
CTSK P43235 7/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
HCAR2 Q8TDS4 1/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
ANPEP P15144 2/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 1/20 0.41
NPEPPS P55786 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CACNA1B Q00975 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL28123779 0.86 HCAR2 (0.43) HCAR2CYP3A4CYP2C9CYP2C19CACNA1B
SCHEMBL28123186 0.85 CACNA1B (0.39) CTSBCTSKCTSLCTSSHCAR2
SCHEMBL28003838 0.81 HCAR2 (0.49) HCAR2CACNA1BALDH1A1LMNA
SCHEMBL28004298 0.80 EPHX1 (0.39) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL11704433 0.80 CTSB (0.63) CTSBCTSKCTSLCTSSALDH1A1
SCHEMBL28004315 0.79 HCAR2 (0.45) HCAR2CACNA1BALDH1A1LMNA
SCHEMBL28003874 0.78 TP53 (0.44) HCAR2CACNA1BALDH1A1LMNA
SCHEMBL28004358 0.76 TAAR1 (0.44) HCAR2
SCHEMBL16681232 0.76 CTSB (0.61) CTSBCTSKCTSLCTSSACE2
SCHEMBL11707070 0.76 CTSB (0.61) CTSBCTSKCTSLCTSSACE2

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