SCHEMBL28809090

SCHEMBL28809090

CCCCOc1c(C(=O)OC)c2cccccc-2c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN11 Q06124 1/20 0.45
PLA2G2A P14555 1/20 0.44
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
CASP1 P29466 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 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
SCHEMBL27932429 0.92 LMNA (0.46) RAB9AMAPTTSHRTDP1SMN1; SMN2
SCHEMBL27948258 0.86 TSHR (0.50) RAB9AMAPTTSHRTDP1L3MBTL1
Benzene SCHEMBL28006415 0.77 MAPT (0.60) MAPTTSHRTDP1L3MBTL1CYP1A2
SCHEMBL27932444 0.77 CA12 (0.50) RAB9AMAPTTSHRL3MBTL1CYP1A2
SCHEMBL7095147 0.77 CYP1A2 (0.56) RAB9ATSHRTDP1L3MBTL1CYP1A2
SCHEMBL12697311 0.76 CYP1A2 (0.51) RAB9AMAPTTSHRTDP1L3MBTL1
SCHEMBL7956581 0.75 MAPT (0.62) MAPTTSHRTDP1L3MBTL1CYP1A2
SCHEMBL15728540 0.74 L3MBTL1 (0.47) RAB9ATSHRTDP1L3MBTL1CYP1A2
SCHEMBL3559690 0.73 TSHR (0.46) TSHRTDP1L3MBTL1CYP1A2CYP2C19
Benzene SCHEMBL27950703 0.73 MAPT (0.78) RAB9AMAPTTSHRTDP1L3MBTL1

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
CN-103483472-B Supported polypropylene catalyst and preparation method thereof PETROCHINA COMPANY LIMITED (CN) 2015-09-23 CN claimed
CN-103483472-A Supported polypropylene catalyst and preparation method thereof PETROCHINA CO LTD 2014-01-01 CN claimed
CN-103483472-B Supported polypropylene catalyst and preparation method thereof PETROCHINA COMPANY LIMITED (CN) 2015-09-23 CN disclosed
CN-103483472-A Supported polypropylene catalyst and preparation method thereof PETROCHINA CO LTD 2014-01-01 CN disclosed