SCHEMBL20880908

SCHEMBL20880908

CC[C@H](C)C(I)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 4/20 0.41
TRPA1 O75762 2/20 0.41
AOC3 Q16853 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MIF P14174 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
HKDC1 Q2TB90 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL20055714 1.00 LMNA (0.46) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL27994440 0.83 AOC3 (0.42) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL1293117 0.76 LMNA (0.50) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL3627329 0.76 LMNA (0.50) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL807041 0.75 TAAR1 (0.44) LMNATAAR1AOC3MIFCYP2D6
SCHEMBL9023354 0.75 TAAR1 (0.42) LMNATAAR1MIFCYP2D6
SCHEMBL22009966 0.74 HKDC1 (0.52) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL11721312 0.74 DPP4 (0.47) LMNATAAR1HTR2AHRH1CYP2D6
SCHEMBL22062330 0.74 TAAR1 (0.41) LMNATAAR1TRPA1AOC3KMT2A
SCHEMBL21120565 0.73 TAAR1 (0.41) LMNATAAR1MIFCYP2D6

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
EP-2953957-B1 MODIFIED GLYCOLIPIDS AND METHODS OF MAKING AND USING THE SAME VACCINEX INC (US) 2019-04-10 EP disclosed