SCHEMBL9489653

SCHEMBL9489653

CCc1cc(C)cc(C)c1.CCc1cc(C)ccc1C.CCc1ccc(C)c(C)c1.CCc1ccc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NR3C1 P04150 2/20 0.36
NR3C2 P08235 2/20 0.36
PGR P06401 1/20 0.35
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL10906702 0.89 RAPGEF4 (0.40) RAPGEF4TAAR1NR3C1NR3C2PGR
SCHEMBL18919877 0.87 TAAR1 (0.46) RAPGEF4TAAR1NR3C1NR3C2POLB
SCHEMBL8905155 0.86 TAAR1 (0.47) RAPGEF4TAAR1NR3C1NR3C2POLB
SCHEMBL27625494 0.79 POLB (0.42) RAPGEF4TAAR1NR3C1NR3C2PGR
SCHEMBL4279450 0.77 TRPA1 (0.44) RAPGEF4TAAR1TP53MAPTSMN1; SMN2
SCHEMBL269825 0.75 TAAR1 (0.58) TAAR1NR3C1NR3C2POLBTP53
SCHEMBL168406 0.75 PYCR1 (0.46) RAPGEF4TAAR1NR3C1NR3C2PGR
SCHEMBL29462885 0.75 TAAR1 (0.58) TAAR1NR3C1NR3C2POLBTP53
SCHEMBL5498171 0.73 TRPA1 (0.44) RAPGEF4TAAR1TP53MAPTSMN1; SMN2
SCHEMBL169507 0.73 TRPA1 (0.44) RAPGEF4TAAR1TP53MAPTSMN1; SMN2

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-5177286-A Selective production of a p-alkyltoluene or 4,4'-alkylmethylbiphenyl AMOCO CORPORATION (US) 1993-01-05 US disclosed