SCHEMBL9037038

SCHEMBL9037038

CC(=O)C(c1ccccc1)c1ccccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.72
▸ LMNA P02545 4/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ HTT P42858 2/20 0.72
▸ USP2 O75604 1/20 0.72
▸ TP53 P04637 1/20 0.72
▸ GAA P10253 1/20 0.72
▸ THRB P10828 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ MEN1 O00255 5/20 0.61
▸ KCNH2 Q12809 4/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.58
▸ ADRB2 P07550 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ABCB1 P08183 4/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ ADRB1 P08588 1/20 0.51
▸ ADRB3 P13945 1/20 0.51

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
SCHEMBL17313683 0.77 MAPT (0.73) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL9037392 0.76 ALDH1A1 (0.58) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL8122651 0.75 KCNH2 (1.00) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL16727520 0.74 TSHR (0.73) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL15539933 0.74 TSHR (0.73) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL15275436 0.74 KMT2A (0.83) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL9186776 0.73 KMT2A (0.62) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL9183149 0.73 KMT2A (0.62) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL9185511 0.73 KMT2A (0.60) KMT2ALMNAALDH1A1HTTUSP2
SCHEMBL9188119 0.73 KMT2A (0.57) KMT2ALMNAALDH1A1HTTUSP2

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
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 — — EP disclosed
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