SCHEMBL21879786

SCHEMBL21879786

CC(C)(C)c1[c]c2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL3045287 0.76 CYP1A2 (0.44) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL28791375 0.72 ALDH1A1 (0.44) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL7182324 0.72 CYP1A2 (0.44) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL6418835 0.72 ALDH1A1 (0.44) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL5746629 0.71 CYP1A2 (0.39) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL5746331 0.71 CYP1A2 (0.39) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL2453887 0.70 CYP1A2 (0.42) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL1983690 0.70 CYP1A1 (0.34) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL243712 0.70 ALDH1A1 (0.52) CYP3A4TSHRCYP1A1CYP1B1CYP1A2
SCHEMBL28242629 0.70 ALDH1A1 (0.52) CYP3A4TSHRCYP1A1CYP1B1CYP1A2

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-113795938-B Organic light-emitting element, laminate, and light-emitting method 九州有机光材股份有限公司 2024-05-28 CN disclosed
WO-2020085396-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION 国立大学法人北海道大学 2020-04-30 WO disclosed