SCHEMBL28128152

SCHEMBL28128152

COc1cc(C(C)(C)C)c(OP(O)O)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
TNFRSF1A P19438 2/20 0.37
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 1/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32

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
SCHEMBL9192342 0.91 CA1 (0.52) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL1512024 0.84 CA1 (0.55) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL10789476 0.81 CA1 (0.57) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL5865457 0.80 GABRA1 (0.38) CA1CA2ALDH1A1CYP3A4ALOX15
SCHEMBL29131689 0.80 ALDH1A1 (0.42) CA1CA2ALDH1A1GAACYP3A4
SCHEMBL1664850 0.80 SMN1; SMN2 (0.50) CA2ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL22360314 0.79 CA1 (0.64) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL7149136 0.78 CA1 (0.49) CA1CA2ALDH1A1GAATNFRSF1A
SCHEMBL5009509 0.77 ALDH1A1 (0.55) CA1CA2ALDH1A1GAACYP3A4
Triaziquone SCHEMBL21192347 0.76 CA1 (0.35) CA1CA2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106550597-A Carbon monoxide-olefin polymeric comprising the part based on phosphorus and the hydroformylation process using the carbon monoxide-olefin polymeric LG化学株式会社 2017-03-29 CN claimed
CN-106550597-B Carbon monoxide-olefin polymeric comprising the ligand based on phosphorus and the hydroformylation process using the carbon monoxide-olefin polymeric LG化学株式会社 2019-06-18 CN disclosed
CN-106550597-A Carbon monoxide-olefin polymeric comprising the part based on phosphorus and the hydroformylation process using the carbon monoxide-olefin polymeric LG化学株式会社 2017-03-29 CN disclosed