SCHEMBL12719425

SCHEMBL12719425

CCOc1ccc(C(=O)OC2CCC(c3ccc(C4CCC(OC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ GRM1 Q13255 1/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ SERPINE1 P05121 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ CAMKK1 Q8N5S9 1/20 0.35

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
SCHEMBL12741133 0.92 KCNQ3 (0.41) KCNQ3KCNQ2KMT2ACYP2D6KDM1A
SCHEMBL14767210 0.92 KCNQ3 (0.41) KCNQ3KCNQ2KMT2ACYP2D6KDM1A
SCHEMBL12719228 0.91 KCNQ3 (0.40) KCNQ3KCNQ2KMT2ACYP2D6KDM1A
SCHEMBL12823873 0.90 HTT (0.46) KCNQ3KCNQ2KMT2ACYP2D6PDE4A
SCHEMBL12741132 0.90 KCNQ3 (0.39) KCNQ3KCNQ2KMT2ACYP2D6KDM1A
SCHEMBL12741124 0.89 KCNQ3 (0.41) KCNQ3KCNQ2KMT2ACYP2D6KDM1A
SCHEMBL12741126 0.88 KCNQ3 (0.38) KCNQ3KCNQ2KMT2ACYP2D6KDM1A
SCHEMBL12823627 0.88 KCNQ3 (0.40) KCNQ3KCNQ2KMT2ACYP2D6KDM1A
SCHEMBL15381746 0.87 PTGS1 (0.38) KCNQ3KCNQ2KMT2ACYP2D6SERPINE1
SCHEMBL14767301 0.87 THRA (0.39) KCNQ3KCNQ2KMT2AKDM1ASERPINE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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