SCHEMBL19829217

SCHEMBL19829217

CCCC1CCC(C2CCC(c3ccc(-c4ccc(C(F)(F)Oc5ccc(OCF)c(F)c5)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARD Q03181 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
SCHEMBL18310585 0.94 FFAR1 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19829211 0.93 KDM1A (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19829175 0.89 ALOX5AP (0.32) CYP2C9
SCHEMBL19829215 0.87
SCHEMBL18315146 0.86 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL18310575 0.86 FFAR1 (0.31) FFAR1PPARD
SCHEMBL18310423 0.85 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL18310543 0.84 PPARD (0.34) FFAR1PPARD
SCHEMBL19829174 0.84
SCHEMBL18310579 0.84

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-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed