SCHEMBL14766508

SCHEMBL14766508

CCOc1ccc(/C=C/c2ccc(-c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.42
NAAA Q02083 2/20 0.37
TNFRSF1A P19438 1/20 0.35
KDM1A O60341 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FPR2 P25090 2/20 0.33
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL12822424 0.92 TUBB1 (0.44) TUBB1NAAATNFRSF1AKDM1AKMT2A
SCHEMBL14766803 0.92 TUBB1 (0.39) TUBB1NAAATNFRSF1AKDM1AKMT2A
SCHEMBL14766378 0.92 TUBB1 (0.34) TUBB1NAAATNFRSF1A
SCHEMBL12739419 0.91 TUBB1 (0.42) TUBB1NAAATNFRSF1AKDM1AKMT2A
SCHEMBL14767052 0.91 TUBB1 (0.34) TUBB1NAAAHPGD
SCHEMBL14766922 0.91 TUBB1 (0.35) TUBB1NAAATNFRSF1AKMT2AKDM4E
SCHEMBL12739406 0.90 TUBB1 (0.42) TUBB1NAAATNFRSF1AKDM1AKMT2A
SCHEMBL14766705 0.90 TUBB1 (0.34) TUBB1NAAATNFRSF1AFPR2FFAR1
SCHEMBL12739416 0.89 TUBB1 (0.41) TUBB1NAAATNFRSF1AKDM1AKMT2A
SCHEMBL12739408 0.88 TUBB1 (0.40) TUBB1NAAATNFRSF1AKDM1AFGFR1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed