SCHEMBL28544832

SCHEMBL28544832

CCCCO[PH](=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 3/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 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
SCHEMBL24245277 0.95 TSHR (0.40) TSHRTDP1L3MBTL1LTA4HP2RX7
SCHEMBL28547934 0.93 ALDH1A1 (0.41) TSHRLTA4HP2RX7ALDH1A1TP53
SCHEMBL28542293 0.89 ALDH1A1 (0.35) TSHRTDP1L3MBTL1P2RX7ALDH1A1
SCHEMBL28554162 0.83 L3MBTL1 (0.39) TSHRTDP1L3MBTL1LTA4HCYP1A2
SCHEMBL28551818 0.82 P2RX7 (0.36) TDP1P2RX7ALDH1A1TP53SMN1; SMN2
SCHEMBL777147 0.82 TSHR (0.35) TSHRTDP1L3MBTL1ALDH1A1TP53
SCHEMBL28545745 0.78 TSHR (0.40) TSHRTDP1L3MBTL1LTA4HALDH1A1
SCHEMBL28549980 0.78 P2RX7 (0.38) TDP1P2RX7ALDH1A1TP53MAPK1
SCHEMBL10452384 0.78 LIPG (0.45)
SCHEMBL28546044 0.77 TSHR (0.41) TSHRLTA4HALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293805-B Olefin polymerization solid catalytic component, component preparation method and catalyst system thereof 中国石油天然气股份有限公司 2021-03-09 CN claimed
CN-109293805-B Olefin polymerization solid catalytic component, component preparation method and catalyst system thereof 中国石油天然气股份有限公司 2021-03-09 CN disclosed