SCHEMBL22637213

SCHEMBL22637213

COc1ccc2c(c1)C=CC1(Nc3ccccc3C1(C)C)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ GAA P10253 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ RECQL P46063 3/20 0.49
▸ THRB P10828 3/20 0.49
▸ PLIN1 O60240 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PLIN5 Q00G26 1/20 0.49
▸ ABHD5 Q8WTS1 1/20 0.49
▸ ATM Q13315 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALPG P10696 1/20 0.36

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
SCHEMBL17342556 0.83 NPSR1 (0.43) MAPTGAALMNATDP1SMN1; SMN2
SCHEMBL27100790 0.83 SMN1; SMN2 (0.42) MAPTGAALMNATDP1SMN1; SMN2
SCHEMBL19000228 0.82 HTR2C (0.40) MAPTGAALMNATDP1MEN1
SCHEMBL17342555 0.79 SNCA (0.45) MAPTGAALMNATDP1SMN1; SMN2
SCHEMBL610013 0.79 MEN1 (0.43) MAPTGAALMNATDP1MEN1
SCHEMBL29633966 0.79 MEN1 (0.43) MAPTGAALMNATDP1MEN1
SCHEMBL29466096 0.79 MEN1 (0.43) MAPTGAALMNATDP1MEN1
SCHEMBL16270944 0.78 GAA (0.36) MAPTGAALMNATDP1SMN1; SMN2
SCHEMBL27100775 0.78 ALOX5 (0.35) MAPTGAALMNATDP1SMN1; SMN2
SCHEMBL27100763 0.77 MEN1 (0.37) MAPTGAALMNATDP1SMN1; SMN2

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
WO-2020227227-A1 THERMAL STORAGE MATERIALS AND APPLICATIONS THEREOF BRANDEIS UNIVERSITY (US) 2020-11-12 — — WO disclosed
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