SCHEMBL9506306

SCHEMBL9506306

CCC(C)C(CC)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TAAR1 Q96RJ0 4/20 0.40
TRPA1 O75762 2/20 0.40
AOC3 Q16853 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MIF P14174 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HKDC1 Q2TB90 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL1293117 0.84 LMNA (0.50) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL8817244 0.80 LMNA (0.46) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL2505449 0.78 LMNA (0.56) LMNATRPA1AOC3KMT2AMEN1
SCHEMBL5872340 0.77 TAAR1 (0.43) LMNATAAR1TRPA1AOC3CYP2D6
SCHEMBL12448782 0.76 MIF (0.44) AOC3MIFCYP2D6
SCHEMBL6546873 0.75 SMN1; SMN2 (0.43) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL3627329 0.75 LMNA (0.50) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL13619279 0.74 NR3C1 (0.41) LMNAKMT2AMEN1CYP2D6
SCHEMBL27504862 0.74 ESR1 (0.50) LMNATRPA1AOC3KMT2AMEN1
SCHEMBL22009966 0.73 HKDC1 (0.52) LMNATAAR1TRPA1AOC3KMT2A

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
EP-0440391-B1 LUBRICANT COMPOSITIONS NIPPON OIL CO. LTD. (JP) 1993-08-18 EP disclosed
US-5194168-A Base oil containing particles of crosslinked polybutadiene NIPPON OIL CO., LTD. (JP) 1993-03-16 US disclosed
EP-0440391-A1 Lubricant compositions NIPPON OIL CO. LTD. (JP) 1991-08-07 EP disclosed