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Sugi Predict / Compounds / SCHEMBL19829211

SCHEMBL19829211

SCHEMBL19829211

CCCC1CCC(C2CCC(c3ccc(C(F)(F)Oc4ccc(OCF)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.33
▸ 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

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
SCHEMBL19829217 0.93 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL18310585 0.92 FFAR1 (0.32) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL19829174 0.91 — —
SCHEMBL19829175 0.90 ALOX5AP (0.32) KDM1ACYP2C9
SCHEMBL19829214 0.88 KDM1A (0.32) KDM1A
SCHEMBL12032307 0.87 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13128375 0.87 KDM1A (0.41) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL18310514 0.87 KDM1A (0.41) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL18310579 0.85 — —
SCHEMBL19829140 0.85 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1

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