SCHEMBL28039864

SCHEMBL28039864

CC(C)(C)c1cccc(C(N)c2ccccc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
NPSR1 Q6W5P4 1/20 0.43
ALOX12 P18054 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.35
HIF1A Q16665 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL767723 0.81 CA2 (0.53) CA2TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL28039550 0.80 CYP3A4 (0.69) CA2TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL27965041 0.77 CA2 (0.61) CA2TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL28160672 0.77 CA2 (0.61) CA2TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL27964695 0.76 CA2 (0.67) CA2TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL9139535 0.76 TSHR (0.53) CA2TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL27701640 0.75 CA2 (0.59) CA2TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL56957 0.74 GABRA1 (0.64) CA2TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL27902922 0.74 IDO1 (0.44) CYP1A2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL5596970 0.74 CA2 (0.57) CA2TSHRCYP1A2CYP3A4CYP2C9

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-105085729-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-01-23 CN disclosed
CN-105085726-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2017-11-07 CN disclosed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed
CN-105085729-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed