SCHEMBL8728188

SCHEMBL8728188

C=CC(F)(F)C#Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ APP P05067 1/20 0.44
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ THPO P40225 1/20 0.34
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL562862 0.75 APP (0.55) MAPTAPPCYP1A2CYP3A4CYP2C9
SCHEMBL7413841 0.73 APP (0.52) MAPTAPPCYP1A2CYP3A4CYP2C9
SCHEMBL10898918 0.72 MAPT (0.62) MAPTAPPCYP1A2CYP3A4CYP2C9
SCHEMBL16439860 0.71 APP (0.50) MAPTAPPCYP1A2CYP3A4CYP2C9
SCHEMBL28579920 0.68 APP (0.46) MAPTAPPCYP1A2CYP3A4CYP2C9
SCHEMBL28600443 0.67 APP (0.44) MAPTAPPCYP1A2CYP3A4CYP2C9
SCHEMBL29018689 0.67 APP (0.44) MAPTAPPCYP1A2CYP3A4CYP2C9
SCHEMBL840229 0.66 APP (0.55) MAPTAPPCYP1A2CYP3A4CYP2C9
SCHEMBL2183993 0.66 APP (0.55) MAPTAPPCYP1A2CYP3A4CYP2C9
Butadiene SCHEMBL8867166 0.66 APP (0.55) MAPTAPPCYP1A2CYP3A4CYP2C9

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
US-5820785-A ELECTROOPTIC SWITCHES; DISPLAYING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 — — US claimed
US-5820785-A ELECTROOPTIC SWITCHES; DISPLAYING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 — — US disclosed
US-5820785-A ELECTROOPTIC SWITCHES; DISPLAYING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 — — US disclosed
US-5820785-A ELECTROOPTIC SWITCHES; DISPLAYING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-10-13 — — US disclosed
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