SCHEMBL10452432

SCHEMBL10452432

COC(C)(CO)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38

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
SCHEMBL11752082 0.83 PPARA (0.47) MEN1KMT2ALMNAHTTHTR2A
SCHEMBL9835351 0.80 MAPK14 (0.42) MAPK14MEN1KMT2ALMNAMAOA
SCHEMBL10453168 0.78 NPC1 (0.38) MAPK14MEN1KMT2ALMNAHTT
SCHEMBL11750435 0.77 PPARA (0.50) MEN1KMT2ALMNAHTTHTR2A
SCHEMBL10204685 0.74 RAB9A (0.63) MEN1KMT2ALMNAMAOAMAOB
SCHEMBL11540350 0.74 PPARA (0.49) MAPK14MEN1KMT2ALMNANPSR1
SCHEMBL21501229 0.74 MAOA (0.44) MAPK14MEN1KMT2AMAOAMAOB
SCHEMBL11507654 0.73 KMT2A (0.46) MAPK14MEN1KMT2ALMNAHTT
SCHEMBL11507295 0.73 MEN1 (0.41) MAPK14MEN1KMT2ALMNAHTT
SCHEMBL11747760 0.73 PPARA (0.47) MEN1KMT2ALMNAHTTHTR2A

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-4945100-A Process for the preparation of 1-triazolylethyl ether derivatives CIBA-GEIGY CORPORATION (US) 1990-07-31 — — US disclosed
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