SCHEMBL14922685

SCHEMBL14922685

CCCCOc1ccc(C2CCC(OC(=O)C3CCC(C4CCC(c5ccc(OCCCC)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.39
▸ TSHR P16473 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL14922635 1.00 SCN9A (0.39) SCN9ATSHRLMNAALDH1A1RAB9A
SCHEMBL14922683 0.98 SCN9A (0.38) SCN9ATSHRLMNAALDH1A1RAB9A
SCHEMBL14922603 0.98 SCN9A (0.38) SCN9ATSHRLMNAALDH1A1RAB9A
SCHEMBL2509034 0.97 SCN9A (0.37) SCN9ALMNAALDH1A1MEN1KMT2A
SCHEMBL12197468 0.95 SCN9A (0.36) SCN9ATSHRLMNAALDH1A1RAB9A
SCHEMBL12196509 0.95 SCN9A (0.36) SCN9ATSHRLMNAALDH1A1RAB9A
SCHEMBL14922680 0.93 SMN1; SMN2 (0.36) SCN9ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL14922689 0.93 SMN1; SMN2 (0.36) SCN9ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL14922674 0.93 SCN9A (0.38) SCN9ATSHRLMNAALDH1A1RAB9A
SCHEMBL14922608 0.93 SCN9A (0.38) SCN9ATSHRLMNAALDH1A1RAB9A

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
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
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