SCHEMBL22648698

SCHEMBL22648698

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.49
LMNA P02545 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
AOC3 Q16853 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL19412907 0.81 TRPA1 (0.45) TRPA1LMNAHKDC1TAAR1AOC3
SCHEMBL19412975 0.79 FFAR1 (0.43) TRPA1LMNAHKDC1MEN1KMT2A
SCHEMBL10456080 0.78 TRPA1 (0.46) TRPA1LMNAHKDC1TAAR1AOC3
SCHEMBL22062330 0.77 TAAR1 (0.41) TRPA1LMNAHKDC1TAAR1AOC3
SCHEMBL21216893 0.77 ACE (0.43) TRPA1LMNAHKDC1MEN1KMT2A
SCHEMBL13909501 0.74 TRPA1 (0.52) TRPA1LMNAHKDC1TAAR1AOC3
SCHEMBL15481758 0.74 TRPA1 (0.53) TRPA1LMNATAAR1AOC3MEN1
SCHEMBL4450115 0.74 HRH1 (0.47) TRPA1LMNATAAR1AOC3MEN1
SCHEMBL3087075 0.73 TAAR1 (0.44) TRPA1LMNAHKDC1TAAR1AOC3
SCHEMBL12073186 0.72 TAAR1 (0.57) TRPA1LMNAHKDC1TAAR1HSD17B10

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
US-11335559-B2 Pattern-forming method, and composition JSR CORPORATION (JP) 2022-05-17 US disclosed
US-20200357633-A1 PATTERN-FORMING METHOD, AND COMPOSITION JSR CORPORATION (JP) 2020-11-12 US disclosed