Sugi Predict

Sugi Predict / Compounds / SCHEMBL19829236

SCHEMBL19829236

SCHEMBL19829236

CCCC1CCC(c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(OCF)c(F)c5)c(F)c4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ GRM2 Q14416 4/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ KDM1A O60341 2/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL12626018 0.94 ALOX5AP (0.31) ALOX5APFEN1GRM2
SCHEMBL12625070 0.94 ALOX5AP (0.31) ALOX5APFEN1GRM2
SCHEMBL19829175 0.91 ALOX5AP (0.32) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL12625036 0.91 ALOX5AP (0.35) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL12625854 0.91 ALOX5AP (0.35) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL19829237 0.88 GRM2 (0.32) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL18310424 0.88 CYP2C9 (0.38) ALOX5APFEN1GRM2KDM1ACYP2C9
SCHEMBL12626068 0.88 FFAR4 (0.33) ALOX5APFEN1GRM2PIM1PIM2
SCHEMBL12626009 0.88 AKR1C3 (0.33) ALOX5APFEN1GRM2CYP2C9
SCHEMBL18310586 0.88 CYP2C9 (0.32) CYP2C9

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