SCHEMBL20664231

SCHEMBL20664231

COC1CCC(OCC2CCC(C)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
DAO P14920 1/20 0.31

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
SCHEMBL14074153 0.94 HCRTR2 (0.30) HCRTR2
SCHEMBL21537525 0.91 CTSL (0.35) HCRTR2JAK2JAK1CTSLCTSB
SCHEMBL2668604 0.91 CTSL (0.35) HCRTR2JAK2JAK1CTSLCTSB
SCHEMBL8263000 0.91 CTSL (0.35) HCRTR2JAK2JAK1CTSLCTSB
SCHEMBL803142 0.85 HCRTR2 (0.33) HCRTR2JAK2JAK1CTSLCTSB
SCHEMBL20664323 0.85 HCRTR2 (0.33) HCRTR2JAK2JAK1CTSLCTSB
SCHEMBL11957389 0.85 HCRTR2 (0.33) HCRTR2JAK2JAK1CTSLCTSB
SCHEMBL14701093 0.85 HCRTR2 (0.33) HCRTR2JAK2JAK1CTSLCTSB
SCHEMBL20664270 0.80 DAO (0.33) DAO
SCHEMBL13038169 0.80 DAO (0.40) DAO

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-2607451-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2019-01-23 EP disclosed