SCHEMBL2444780

SCHEMBL2444780

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LMNA P02545 7/20 0.44
KMT2A Q03164 2/20 0.43
TET3 O43151 1/20 0.43
FBXL19 Q6PCT2 1/20 0.43
CXXC5 Q7LFL8 1/20 0.43
TET1 Q8NFU7 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
CXXC4 Q9H2H0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
TSHR P16473 1/20 0.41
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8070728 0.79 MAOA (0.54) MAOAMAOBTAAR1LMNAKMT2A
SCHEMBL1361875 0.79 TSHR (0.58) MAOAMAOBTAAR1LMNAKMT2A
SCHEMBL6583082 0.76 MAOA (0.50) MAOAMAOBTAAR1LMNAKMT2A
SCHEMBL4445397 0.74 MAOA (0.48) MAOAMAOBTAAR1LMNAKMT2A
SCHEMBL1371770 0.72 MAOA (0.60) MAOAMAOBTAAR1LMNACNR1
SCHEMBL977926 0.72 HSD11B1 (0.69) LMNAKMT2ATSHRSMN1; SMN2L3MBTL1
SCHEMBL625584 0.72 HSD11B1 (0.64) LMNAKMT2ATSHRSMN1; SMN2L3MBTL1
SCHEMBL5365797 0.70 HSD11B1 (0.72) LMNAKMT2ATSHRSMN1; SMN2L3MBTL1
SCHEMBL19382875 0.70 DPP4 (0.46) MAOAMAOBTAAR1LMNAKMT2A
SCHEMBL6554492 0.69 LMNA (0.49) MAOAMAOBTAAR1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed