SCHEMBL19722540

SCHEMBL19722540

CCCCCC1CCC(c2ccc(OCCOC)cc2CC)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CCL2 P13500 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GGPS1 O95749 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ SMPD1 P17405 3/20 0.34

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
SCHEMBL21321836 0.82 ITGB3 (0.36) CNR2CNR1ITGB3ITGA2BPTGES
SCHEMBL19722539 0.82 CNR2 (0.38) CNR2CNR1ITGB3ITGA2BPTGES
SCHEMBL23635459 0.80 LSS (0.42) —
SCHEMBL9399172 0.80 OPRL1 (0.43) CNR2ITGB3ITGA2BPTGESALOX5
SCHEMBL19855901 0.80 BCHE (0.40) CNR2CNR1ITGB3ITGA2BRAB9A
SCHEMBL19855856 0.80 BCHE (0.40) CNR2CNR1ITGB3ITGA2BPTGES
SCHEMBL19722380 0.80 CNR2 (0.36) CNR2CNR1ITGB3ITGA2BPTGES
SCHEMBL19722002 0.80 CNR2 (0.36) CNR2CNR1ITGB3ITGA2BPTGES
SCHEMBL9398746 0.79 OPRL1 (0.43) CNR2CNR1ITGB3ITGA2BMTNR1A
SCHEMBL9399496 0.78 TSHR (0.43) CNR2CNR1ITGB3ITGA2BMTNR1A

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-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 — — EP disclosed
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