SCHEMBL11801649

SCHEMBL11801649

CC=CC=Cc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.50
RELA Q04206 1/20 0.46
CA1 P00915 1/20 0.46
CYP2A6 P11509 1/20 0.44
FBP1 P09467 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
APP P05067 4/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
MAOB P27338 1/20 0.42
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FOS P01100 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
SCHEMBL11802933 1.00 NFE2L2 (0.50) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL372652 0.89 NFE2L2 (0.59) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL1292955 0.89 NFE2L2 (0.59) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL23458017 0.87 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL29862187 0.87 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL23458148 0.87 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL8666416 0.84 NFE2L2 (0.38) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL840235 0.81 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL272756 0.81 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1
SCHEMBL272755 0.81 NFE2L2 (0.56) NFE2L2RELACA1CYP2A6FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3931348-A RHENIUM OXIDE CYCLIZATION DEHYDROGENATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JA) 1976-01-06 US claimed
US-3931348-A RHENIUM OXIDE CYCLIZATION DEHYDROGENATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JA) 1976-01-06 US disclosed
US-3931348-A RHENIUM OXIDE CYCLIZATION DEHYDROGENATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JA) 1976-01-06 US disclosed