SCHEMBL8444615

SCHEMBL8444615

Nc1ccccc1/C=C/c1ccccc1C(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CES1 P23141 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ P2RX1 P51575 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ CFTR P13569 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ PLA2G2D Q9UNK4 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ POLB P06746 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
SCHEMBL15273222 0.81 TRPA1 (0.47) MAPTCES1HDAC3HDAC1MAPK1
SCHEMBL15273217 0.81 TRPA1 (0.47) MAPTCES1HDAC3HDAC1MAPK1
SCHEMBL3037744 0.80 MAPT (0.50) MAPTKDM4ECES1HDAC3HDAC1
SCHEMBL30371054 0.80 MAPT (0.50) MAPTKDM4ECES1HDAC3HDAC1
SCHEMBL7778535 0.79 MAPT (0.51) MAPTKDM4EGAAALDH1A1HSD17B10
SCHEMBL15780388 0.77 CES1 (0.47) KDM4ECES1HDAC1MAPK1NFKB1
SCHEMBL6320942 0.75 CES1 (0.45) KDM4ECES1HDAC1MAPK1GAA
SCHEMBL38340 0.73 CYP3A4 (0.53) MAPTPTGS1GAAALDH1A1HSD17B10
SCHEMBL3765477 0.73 CYP3A4 (0.53) MAPTPTGS1GAAALDH1A1HSD17B10
SCHEMBL65321 0.73 CYP3A4 (0.53) MAPTPTGS1GAAALDH1A1HSD17B10

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
EP-0953150-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1999-11-03 — — EP claimed
WO-1998030892-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1998-07-16 — — WO claimed
EP-0953150-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1999-11-03 — — EP disclosed
WO-1998030892-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1998-07-16 — — WO disclosed
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