SCHEMBL28192249

SCHEMBL28192249

COc1c(C(C)(C)C)cc(PI)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PTGS1 P23219 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNFRSF1A P19438 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
DHFR P00374 1/20 0.36
ALOX15 P16050 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5694508 0.83 PTGS2 (0.44) PTGS2PTGS1ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL29272672 0.81 PTGS2 (0.43) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL1305156 0.81 PTGS2 (0.43) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL30885080 0.79 PTGS2 (0.42) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL6062560 0.76 PTGS2 (0.46) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL2065796 0.76 PTGS2 (0.46) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL22360314 0.73 CA1 (0.64) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL5857102 0.73 ALDH1A1 (0.52) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL2947022 0.73 PTGS2 (0.47) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL13900816 0.72 PTGS2 (0.54) PTGS2PTGS1ALDH1A1TSHRTDP1

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-107592863-A Chromium complex and olefin oligomerization catalyst therefrom with the part containing phosphorus ring 陶氏环球技术有限责任公司 2018-01-16 CN disclosed
CN-107567355-A The part containing phosphorus ring and olefin oligomerization catalyst therefrom for chromium complex 陶氏环球技术有限责任公司 2018-01-09 CN disclosed
CN-107548385-A Olefin oligomerization process using catalyst comprising chromium complex with phosphacycle-containing ligand 陶氏环球技术有限责任公司 2018-01-05 CN disclosed