SCHEMBL14922683

SCHEMBL14922683

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL14922603 1.00 SCN9A (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14922635 0.98 SCN9A (0.39) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14922685 0.98 SCN9A (0.39) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2509034 0.95 SCN9A (0.37) SCN9AMEN1KMT2ALMNAALDH1A1
SCHEMBL14922689 0.95 SMN1; SMN2 (0.36) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14922680 0.95 SMN1; SMN2 (0.36) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14922631 0.94 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL14922394 0.94 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12197468 0.93 SCN9A (0.36) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12196509 0.93 SCN9A (0.36) SCN9AMEN1KMT2ASMN1; SMN2LMNA

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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