SCHEMBL14219398

SCHEMBL14219398

CCOc1ccc(C2CCC(c3cc(F)c(C[C@H](C)c4ccccc4)c(F)c3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.36
LTA4H P09960 1/20 0.35
CYP2D6 P10635 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ACACB O00763 3/20 0.35
NPY2R P49146 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KAT6A Q92794 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KDM1A O60341 1/20 0.33
RELA Q04206 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
SCHEMBL14219915 1.00 MEN1 (0.39) MEN1KMT2AATML3MBTL1LMNA
SCHEMBL14219578 0.88 MEN1 (0.35) MEN1KMT2AATML3MBTL1LMNA
SCHEMBL14219951 0.88 MEN1 (0.38) MEN1KMT2AATML3MBTL1LMNA
SCHEMBL14219986 0.88 MEN1 (0.35) MEN1KMT2AATML3MBTL1LMNA
SCHEMBL14219462 0.86 CCR1 (0.39) ATML3MBTL1ALDH1A1
SCHEMBL14220025 0.83 ADRB2 (0.39) MEN1KMT2ALMNA
SCHEMBL14219465 0.83 ADRB2 (0.39) MEN1KMT2ALMNA
SCHEMBL14220023 0.83 MEN1 (0.49) MEN1KMT2AATML3MBTL1LTA4H
SCHEMBL14219911 0.83 SPHK1 (0.37)
SCHEMBL14219394 0.83 GRIA1 (0.40)

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
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed