SCHEMBL22062330

SCHEMBL22062330

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
TRPA1 O75762 5/20 0.40
HKDC1 Q2TB90 1/20 0.40
LMNA P02545 2/20 0.39
AOC3 Q16853 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ACE P12821 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL18938181 0.80 TAAR1 (0.47) TAAR1TRPA1HKDC1LMNAAOC3
SCHEMBL4450115 0.78 HRH1 (0.47) TAAR1TRPA1LMNAAOC3KMT2A
SCHEMBL21216893 0.77 ACE (0.43) TRPA1HKDC1LMNAKMT2AMEN1
SCHEMBL22648698 0.77 TRPA1 (0.49) TAAR1TRPA1HKDC1LMNAAOC3
SCHEMBL19412975 0.76 FFAR1 (0.43) TRPA1HKDC1LMNAKMT2AMEN1
SCHEMBL22009966 0.76 HKDC1 (0.52) TAAR1TRPA1HKDC1LMNAAOC3
SCHEMBL19412907 0.75 TRPA1 (0.45) TAAR1TRPA1HKDC1LMNAAOC3
SCHEMBL22029995 0.75 TAAR1 (0.45) TAAR1TRPA1HKDC1LMNAAOC3
SCHEMBL20055714 0.74 LMNA (0.46) TAAR1TRPA1HKDC1LMNAAOC3
SCHEMBL20880908 0.74 LMNA (0.46) TAAR1TRPA1HKDC1LMNAAOC3

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-10676636-B2 Brush composition, and method of producing structure containing phase-separated structure TOKYO OHKA KOGYO CO., LTD. (JP) 2020-06-09 US disclosed