SCHEMBL21880586

SCHEMBL21880586

COc1cc(C#CC(C)(C)O)cc(C#CC(C)(C)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ATM Q13315 4/20 0.43
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ APP P05067 2/20 0.38
▸ HAO1 Q9UJM8 2/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA2 Q15822 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ CYP1A1 P04798 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
SCHEMBL29018693 0.80 L3MBTL1 (0.66) LMNAL3MBTL1ATMCA1CA2
SCHEMBL19720165 0.77 GABRA1 (0.36) LMNAL3MBTL1ALDH1A1APPHAO1
SCHEMBL6579434 0.77 LMNA (0.51) LMNAL3MBTL1ATMALDH1A1APP
SCHEMBL13692781 0.75 ASIC3 (0.34) LMNAL3MBTL1ATMHAO1CHRNB2
SCHEMBL674040 0.73 ALDH1A1 (0.65) L3MBTL1ATMCA1CA2ALDH1A1
SCHEMBL11443850 0.72 HAO1 (0.46) LMNAL3MBTL1HAO1EGFRMAPT
SCHEMBL2601884 0.72 LMNA (0.57) LMNAL3MBTL1ALDH1A1APPCYP3A4
SCHEMBL14949230 0.71 PIKFYVE (0.45) LMNAL3MBTL1ATMHAO1MAPT
SCHEMBL2858168 0.71 MAPT (0.38) LMNAL3MBTL1HAO1EGFRMAPT
SCHEMBL9460884 0.71 LMNA (0.46) LMNAL3MBTL1ATMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604618-B2 Compound, method for manufacturing the compound, and composition for forming organic film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-31 — — US disclosed
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