SCHEMBL2705322

SCHEMBL2705322

NC(=O)C1(c2ccoc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALOX5 P09917 8/20 0.36
OPRL1 P41146 1/20 0.32
SYK P43405 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL2722547 0.71 AKR1C1 (0.57) OPRL1HSD11B1
SCHEMBL501923 0.71 AKR1C1 (0.57) OPRL1HSD11B1
Hydrochloric Acid SCHEMBL1804765 0.69 AKR1C1 (0.55) OPRL1HSD11B1
SCHEMBL5106245 0.69 LMNA (0.45) LMNAALOX5OPRL1HRH3HSD11B1
SCHEMBL27714872 0.69 LMNA (0.45) LMNAALOX5OPRL1SYKHRH3
SCHEMBL518528 0.69 ESR2 (0.45) LMNAALOX5OPRL1HRH3HSD11B1
SCHEMBL3951279 0.69
SCHEMBL2142746 0.69
SCHEMBL2130769 0.68 OPRL1 (0.44) LMNAALOX5OPRL1HSD11B1
SCHEMBL1975025 0.68 HSD11B1 (0.56) LMNAOPRL1HSD11B1

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
EP-2448944-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS Senomyx, Inc. (US) 2012-05-09 EP disclosed