SCHEMBL6668337

SCHEMBL6668337

Cc1ccc(C(C)C)c(-c2cc(C)ccc2C(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.60
LMNA P02545 1/20 0.60
CHRM1 P11229 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRA1A P35348 1/20 0.60
HTR2B P41595 1/20 0.60
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP2A6 P11509 3/20 0.43
CYP1A2 P05177 2/20 0.43
ELANE P08246 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL30320821 1.00 TRPA1 (0.60) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8824342 0.88 TRPA1 (0.54) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL30146912 0.84 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL2168007 0.84 LMNA (0.62) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL29239427 0.83 TRPA1 (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL10336253 0.82 LMNA (0.58) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL29652578 0.82 LMNA (0.58) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL23707000 0.81 TRPA1 (0.62) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL29484749 0.81 TRPA1 (0.62) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL10773936 0.80 LMNA (0.43) TRPA1LMNACHRM1SLC6A2ADRA1A

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-1448503-A1 PROCESS FOR PREPARING 3,3',6,6'-TETRAALKYL-2,2'-BIPHENOLS AND 3,3',6,6'-TETRAALKYL-5,5'-DIHALO-2,2'-BIPHENOLS INVISTA Technologies S.à.r.l. (US) 2004-08-25 EP disclosed
WO-2003045884-A1 PROCESS FOR PREPARING 3,3',6,6'-TETRAALKYL-2,2'-BIPHENOLS AND 3,3',6,6'-TETRAALKYL-5,5'-DIHALO-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-05 WO disclosed