SCHEMBL22688263

SCHEMBL22688263

Cc1ccc(Sc2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.43
ACHE P22303 1/20 0.39
MAPT P10636 4/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
HKDC1 Q2TB90 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STS P08842 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
TEAD4 Q15561 1/20 0.34
PTGIR P43119 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
SCHEMBL18697238 0.91 STS (0.40) MAPTHPGDMEN1KMT2AGAA
SCHEMBL317934 0.87 ACHE (0.50) ACHEMAPTMEN1KMT2ATDP1
SCHEMBL22653104 0.85 KIF11 (0.37) MAPTHPGDMEN1KMT2AGAA
SCHEMBL15299026 0.83 SMN1; SMN2 (0.42) MAPTHPGDMEN1KMT2ASTS
SCHEMBL3421211 0.82 NR1H2 (0.56) MAPTHPGDMEN1KMT2ASTS
SCHEMBL16281931 0.82 ALDH1A1 (0.42) MAPTHPGDMEN1KMT2AGAA
SCHEMBL15215815 0.81 MLYCD (0.39) MLYCDACHEMAPTHPGDMEN1
SCHEMBL14465631 0.80 ACHE (0.44) ACHEMAPTMEN1KMT2ATDP1
SCHEMBL18210775 0.80 TEAD4 (0.54) ACHEMAPTHPGDMEN1KMT2A
SCHEMBL23506920 0.79 LTA4H (0.41) HPGDMEN1KMT2AL3MBTL1TSHR

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
EP-3390566-B1 POLYBENZOXAZINE THAT CAN BE USED FOR COATING METAL AND BONDING OF SAME TO RUBBER MICHELIN & CIE (FR) 2020-11-18 EP disclosed