SCHEMBL10532005

SCHEMBL10532005

CCCCCC1CCC(c2ccc(-c3ccccc3)c(F)c2C2CCC(CCC)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPK1 P28482 3/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9174206 1.00 GAA (0.35) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL10613253 0.98 GAA (0.36) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9493973 0.94 KDM4E (0.36) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9166203 0.94 KDM4E (0.36) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL9493979 0.94 KDM4E (0.36) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL10882600 0.87 CHRNB2 (0.43) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL4653175 0.87 CHRNB2 (0.43) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL4650916 0.87 KDM4E (0.38) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL8416015 0.84 CHRNB2 (0.45) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL8416017 0.84 CHRNB2 (0.45) GAAMAPTMEN1KMT2AMAPK1

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-4877547-A Liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed