SCHEMBL3372258

SCHEMBL3372258

C=C1C(=O)c2ccccc2C1(C)C.O=C1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
CYP2A6 P11509 1/20 0.45
MAOA P21397 1/20 0.45
CES1 P23141 2/20 0.44
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SETD7 Q8WTS6 1/20 0.37
TYMS P04818 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ACHE P22303 1/20 0.36
PBRM1 Q86U86 1/20 0.36
PTAFR P25105 1/20 0.35
BCHE P06276 1/20 0.35
SRD5A1 P18405 1/20 0.35
MIF P14174 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL3369923 0.84 PGR (0.43) MAOBMAOACES1TDP1BCHE
Ethylene SCHEMBL27939578 0.75 MAOA (0.68) MAOBCYP2A6MAOACES1TDP1
SCHEMBL29353311 0.75 MAOA (0.74) MAOBCYP2A6MAOACES1TDP1
SCHEMBL24746 0.75 MAOA (0.74) MAOBCYP2A6MAOACES1TDP1
SCHEMBL1268680 0.75 MAOA (0.74) MAOBCYP2A6MAOACES1TDP1
Methylamine SCHEMBL27578982 0.73 MAOA (0.65) MAOBCYP2A6MAOACES1TDP1
SCHEMBL31454252 0.73 MAOA (0.71) MAOBCYP2A6MAOACES1TDP1
Benzene SCHEMBL28357254 0.73 MAOB (0.71) MAOBCYP2A6MAOACES1TDP1
Hydrochloric Acid SCHEMBL28796491 0.73 MAOA (0.71) MAOBCYP2A6MAOACES1TDP1
SCHEMBL16552853 0.73 MAOA (0.71) MAOBCYP2A6MAOACES1TDP1

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-1478616-B1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2010-09-22 EP claimed