SCHEMBL6903846

SCHEMBL6903846

COC1(C(C)=O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCD5 Q86SK9 1/20 0.30

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
SCHEMBL4234398 0.90 SLC6A2 (0.33) SMN1; SMN2NPC1CYP1A2CYP2C19RAB9A
SCHEMBL29154634 0.87 GAA (0.33) SMN1; SMN2MAPT
SCHEMBL5984481 0.87 MEN1 (0.37) SMN1; SMN2MAPTNPC1CYP1A2CYP2C19
SCHEMBL4455027 0.82 BCL2 (0.39) SMN1; SMN2
SCHEMBL30884655 0.81 ALDH1A1 (0.31) MAPT
SCHEMBL10337981 0.81 GAA (0.33) SMN1; SMN2MAPT
SCHEMBL9487256 0.80 ALDH1A1 (0.33) MAPTCYP2C19
SCHEMBL9545948 0.79 SLC6A2 (0.33) SMN1; SMN2NPC1CYP1A2CYP2C19RAB9A
SCHEMBL9849455 0.79 CHRM2 (0.38) CYP2C19L3MBTL1
SCHEMBL5479512 0.78 MAPT (0.35) SMN1; SMN2MAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57064631-A None JP disclosed
EP-1409125-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF Avecia Limited (GB) 2004-04-21 EP disclosed
WO-2003006151-A1 MICROENCAPSULATED CATALYST, METHODS OF PREPARATION AND METHODS OF USE THEREOF AVECIA LIMITED (GB) 2003-01-23 WO disclosed
CN-1248241-A Preparation method of 4-cyano-4' -hydroxybiphenyl EXPANSIA SA (FR) 2000-03-22 CN disclosed
JP-S5764631-A 4-ALKOXY-4'-FLUOROBIPHENYL CHISSO CORP 1982-04-19 JP disclosed