SCHEMBL21399753

SCHEMBL21399753

OC1C(c2ccccc2)CCCC(c2ccccc2)C1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 4/20 0.54
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FABP7 O15540 2/20 0.42
▸ FABP3 P05413 2/20 0.42
▸ FABP5 Q01469 2/20 0.42
▸ MAOA P21397 6/20 0.39
▸ MAOB P27338 6/20 0.39
▸ KDM1A O60341 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CYP2B6 P20813 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39

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
SCHEMBL19192739 0.87 SLC18A3 (0.61) SLC18A3MEN1KMT2AMAOAMAOB
SCHEMBL31603952 0.85 MEN1 (0.48) SLC18A3MEN1KMT2AFABP7FABP3
SCHEMBL11483100 0.84 SLC18A3 (0.46) SLC18A3MEN1KMT2AFABP7FABP3
SCHEMBL15380659 0.82 SLC18A3 (0.56) SLC18A3MEN1KMT2AMAOAMAOB
SCHEMBL29089151 0.78 MEN1 (0.49) SLC18A3MEN1KMT2AFABP7FABP3
SCHEMBL9145559 0.78 SLC18A3 (0.50) SLC18A3MEN1KMT2AMAOAMAOB
SCHEMBL4606959 0.77 SLC18A3 (0.54) SLC18A3MEN1KMT2AMAOAMAOB
SCHEMBL4606955 0.77 SLC18A3 (0.54) SLC18A3MEN1KMT2AMAOAMAOB
SCHEMBL17846315 0.77 SLC18A3 (0.54) SLC18A3MEN1KMT2AMAOAMAOB
SCHEMBL15178310 0.77 SLC18A3 (0.54) SLC18A3MEN1KMT2AMAOAMAOB

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
WO-2019180230-A1 TETRAPHENYLPHENOXY TUNGSTEN OXO ALKYLIDENE COMPLEXES, METHODS OF MAKING SAME AND USE THEREOF XIMO AG (CH) 2019-09-26 — — WO disclosed
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