SCHEMBL14036804

SCHEMBL14036804

Cc1cc(CC(C)C)c(C)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
KDM5A P29375 1/20 0.33
S1PR1 P21453 1/20 0.33
AR P10275 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL14932642 0.84 ALOX15 (0.37) MEN1KMT2AMAOAMAOBKDM5A
SCHEMBL25786452 0.76 MEN1 (0.39) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL119203 0.76 TSHR (0.50) MEN1KMT2AL3MBTL1TSHRS1PR1
Hydrochloric Acid SCHEMBL20840195 0.74 MEN1 (0.35) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL24985404 0.73 OPRL1 (0.44) KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL29232426 0.72 OPRL1 (0.43) KDM4EALDH1A1HPGD
SCHEMBL5014657 0.72 SLC6A4 (0.35) GABRA1GABRB2KDM4EALDH1A1MAPT
SCHEMBL12721704 0.72 MEN1 (0.36) MEN1KMT2AL3MBTL1TSHR
SCHEMBL6990236 0.72 TSHR (0.35) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL19771973 0.72 NOS3 (0.42) MAOAMAOBTSHRS1PR1AR

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed