SCHEMBL14922607

SCHEMBL14922607

CCCCOc1ccc(C2CCC(C(=O)OC3CCC(c4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL14922667 1.00 SCN9A (0.37) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14922608 0.98 SCN9A (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14922674 0.98 SCN9A (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2513234 0.96 LMNA (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2509916 0.96 LMNA (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2509917 0.96 LMNA (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2513233 0.96 LMNA (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2506394 0.96 LMNA (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2513235 0.96 LMNA (0.38) SCN9AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14922591 0.95 SMN1; SMN2 (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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