SCHEMBL14577827

SCHEMBL14577827

CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OCC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.77
▸ NR4A2 P43354 3/20 0.77
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ NR4A1 P22736 1/20 0.56
▸ PTPN7 P35236 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ PTGER2 P43116 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ PTGER4 P35408 2/20 0.49
▸ PTGIR P43119 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ABCC3 O15438 1/20 0.49
▸ ABCC4 O15439 1/20 0.49

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
SCHEMBL11868893 1.00 TRPA1 (0.77) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11868889 1.00 TRPA1 (0.77) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11868897 1.00 TRPA1 (0.77) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11868551 0.93 TRPA1 (0.68) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11868547 0.93 TRPA1 (0.68) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11868556 0.93 TRPA1 (0.68) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11871809 0.89 TRPA1 (0.77) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11871813 0.89 TRPA1 (0.77) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11871804 0.89 TRPA1 (0.77) TRPA1NR4A2MEN1KMT2ALMNA
SCHEMBL11868652 0.87 TRPA1 (0.57) TRPA1NR4A2MEN1KMT2ALMNA

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-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 — — US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 — — US disclosed
Send feedback