SCHEMBL9405294

SCHEMBL9405294

CCCC1CCC(c2ccc(F)c(C#N)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ AR P10275 3/20 0.35
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KCNJ8 Q15842 1/20 0.34
▸ PLA2G7 Q13093 2/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL9405293 1.00 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7509289 0.89 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7737297 0.89 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7900614 0.88 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7900616 0.88 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9828820 0.88 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5886520 0.86 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5886525 0.86 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7032191 0.85 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9502496 0.85 CYP2C9 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61277658-A — — None — — JP disclosed
JP-6287168-A — — None — — JP disclosed
JP-H06287168-A PHENYLCYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL DISPLAY ELEMENT WITH THE SAME SEIKO EPSON CORP 1994-10-11 — — JP disclosed
JP-S61277658-A HALOGENO AROMATIC COMPOUND CHISSO CORP 1986-12-08 — — JP disclosed
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