SCHEMBL12836812

SCHEMBL12836812

CCOc1ccc(-c2ccc(C3CCC(OC(=O)c4ccc(OC)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 5/20 0.38
▸ USP30 Q70CQ3 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CAMKK1 Q8N5S9 1/20 0.33
▸ CAMKK2 Q96RR4 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
SCHEMBL12836057 1.00 FPR2 (0.38) FPR2USP30SMN1; SMN2MAPTMRGPRX4
SCHEMBL15381720 0.96 MAPT (0.37) FPR2SMN1; SMN2MAPTTDP1MEN1
SCHEMBL15381579 0.96 MAPT (0.37) FPR2SMN1; SMN2MAPTTDP1MEN1
SCHEMBL14922594 0.93 MAPT (0.36) FPR2SMN1; SMN2MAPTTDP1MEN1
SCHEMBL14922550 0.91 MAPT (0.40) SMN1; SMN2MAPTTDP1MEN1KMT2A
SCHEMBL11939240 0.91 MAPT (0.35) FPR2SMN1; SMN2MAPTTDP1KMT2A
SCHEMBL11933255 0.91 MAPT (0.37) FPR2SMN1; SMN2MAPTTDP1CAMKK1
SCHEMBL11933347 0.91 MAPT (0.37) FPR2SMN1; SMN2MAPTTDP1CAMKK1
SCHEMBL11939357 0.91 MAPT (0.35) FPR2SMN1; SMN2MAPTTDP1KMT2A
SCHEMBL15381526 0.91 CNR1 (0.35) FPR2SMN1; SMN2MAPTLMNAGAA

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
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO disclosed
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