SCHEMBL11619227

SCHEMBL11619227

CC(=O)Oc1cc(C)nn1CCOc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ HRH3 Q9Y5N1 4/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL11612842 0.87 KMT2A (0.52) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11612294 0.83 RAB9A (0.48) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL11610558 0.79 MAPT (0.50) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL11615203 0.77 HPGD (0.53) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11613653 0.75 MAPT (0.52) MAPTTP53KMT2AMEN1ALOX15
SCHEMBL11618012 0.74 KMT2A (0.42) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11615915 0.74 KMT2A (0.52) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL11615128 0.72 KMT2A (0.47) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL11613055 0.72 MAPT (0.43) MAPTKDM4EALDH1A1HTTLMNA
SCHEMBL11611989 0.71 KMT2A (0.50) MAPTALDH1A1LMNASMN1; SMN2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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