SCHEMBL6565744

SCHEMBL6565744

CCC(C)c1ccccc1.CCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.43
TAAR1 Q96RJ0 3/20 0.41
NPC1 O15118 1/20 0.41
TRPA1 O75762 1/20 0.41
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MEN1 O00255 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
SCHEMBL6567752 0.84 HPGD (0.45) GAAL3MBTL1CYP3A4HPGDCYP2C19
SCHEMBL3587637 0.80 GAA (0.50) GAAL3MBTL1CYP3A4HPGDCYP2C19
SCHEMBL4443642 0.79 TAAR1 (0.61) TAAR1TRPA1
SCHEMBL17453236 0.79 TAAR1 (0.61) TAAR1TRPA1
SCHEMBL136376 0.79 TAAR1 (0.61) TAAR1TRPA1
Benzene SCHEMBL5290987 0.79 TAAR1 (0.61) TAAR1TRPA1
Biphenyl SCHEMBL27952142 0.77 RAB9A (0.44) RAB9AKMT2ANPC1MEN1
SCHEMBL16191094 0.77 RIPK1 (0.50) GAAL3MBTL1CYP3A4HPGDCYP2C19
SCHEMBL6061299 0.77 BCHE (0.39) HPGDRAB9AKMT2ANPC1PKM
Hydrogen Peroxide SCHEMBL11692595 0.77 TRPA1 (0.61) KMT2ATAAR1TRPA1MEN1

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-1402524-A2 SOLVENT COMPOSITION AND PROCESS FOR MANUFACTURING AN OPTICAL RECORDING MEDIUM USING SAID COMPOSITION AND OPTICAL RECORDING MEDIUM Ciba SC Holding AG (CH) 2004-03-31 EP disclosed
WO-2003034146-A2 SOLVENT COMPOSITION AND PROCESS FOR MANUFACTURING AN OPTICAL RECORDING MEDIUM USING SAID COMPOSITION AND OPTICAL RECORDING MEDIUM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-24 WO disclosed