SCHEMBL5336786

SCHEMBL5336786

CCCCc1ccc2[nH]nnc2c1-c1ccccc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30
HSD11B1 P28845 1/20 0.30
PBRM1 Q86U86 1/20 0.30

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
SCHEMBL15058924 0.96 TRPA1 (0.36) TRPA1ELANECTSGHSD11B1
SCHEMBL11074239 0.84 ELANE (0.41) ELANECTSG
SCHEMBL27669182 0.82 NR1H2 (0.39) ELANECTSG
SCHEMBL1938294 0.81 HSD11B1 (0.38) HSD11B1PBRM1
SCHEMBL15020976 0.81 GCGR (0.42) ELANECTSG
SCHEMBL11666453 0.80 ELANE (0.43) ELANECTSG
SCHEMBL28410794 0.79 TRPA1 (0.43) TRPA1
SCHEMBL1906878 0.77 GPR84 (0.40) HSD11B1
SCHEMBL28674437 0.77 GAA (0.35) TRPA1
SCHEMBL28106755 0.77 TRPA1 (0.41) TRPA1HSD11B1

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
WO-2007056556-A2 POLYETHYLENE GLYCOL CONJUGATES OF PYRIDINIUM AND THIAZOLIUM COMPOUNDS AND METHODS OF USING THE SAME MYCOSOL, INC. (US) 2007-05-18 WO disclosed