SCHEMBL20742003

SCHEMBL20742003

CC(I)OC(C)OCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
IDO1 P14902 1/20 0.36
SIGMAR1 Q99720 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AOC3 Q16853 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
SCHEMBL3959570 0.89 CA1 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL14094028 0.85 CA1 (0.39) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL22762259 0.85 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4449191 0.85 CA1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL682845 0.79 CA1 (0.40) CA1CA2CA9IDO1SIGMAR1
SCHEMBL531070 0.78 CA1 (0.39) CA1CA2CA9IDO1SIGMAR1
SCHEMBL585803 0.78 LMNA (0.46) CA1CA2CA9IDO1SIGMAR1
SCHEMBL3815806 0.78 CA1 (0.39) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL92354 0.77 CA1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL2742278 0.76 NPC1 (0.41) CA1CA2CA9IDO1SIGMAR1

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-20190054200-A1 HOUSEHOLD PRODUCT DELIVERING WARMING AND/OR TINGLING SENSATIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-02-21 US disclosed