SCHEMBL10985170

SCHEMBL10985170

C=CCC(C)(C=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.41
MAPT P10636 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2A6 P11509 1/20 0.35
C5AR1 P21730 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
TGM2 P21980 1/20 0.32
LMNA P02545 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
SCHEMBL11843491 0.98 ATM (0.48) ATMTSHRMAPTNPC1RAB9A
SCHEMBL4710826 0.85 ALDH1A1 (0.50) ATMTSHRMAPTALDH1A1HTT
SCHEMBL11843484 0.78 TSHR (0.39) ATMTSHRMAPTNPC1RAB9A
SCHEMBL10824507 0.78 MMP1 (0.42) ATMTSHRMAPTNPC1RAB9A
SCHEMBL6797392 0.78 TSHR (0.46) ATMTSHRMAPTNPC1RAB9A
SCHEMBL10982631 0.76 TSHR (0.40) ATMTSHRMAPTNPC1RAB9A
SCHEMBL13946948 0.75 TSHR (0.41) ATMTSHRALDH1A1
SCHEMBL16521732 0.74 MAPT (0.47) ATMTSHRMAPTNPC1RAB9A
SCHEMBL30434481 0.74 ATM (0.45) ATMTSHRMAPTNPC1RAB9A
SCHEMBL8992450 0.70 ALDH1A1 (0.47) ATMTSHRMAPTNPC1RAB9A

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
US-4549029-A ORGANOLEPTIC GIVAUDAN CORPORATION (US) 1985-10-22 US disclosed