SCHEMBL10459166

SCHEMBL10459166

COc1cc(C(C)=O)ccc1OCCCCCCCl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.64
KMT2A Q03164 2/20 0.63
PRSS1 P07477 4/20 0.58
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.54
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
SMPD1 P17405 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL10461500 1.00 MAOB (0.64) MAOBKMT2APRSS1MEN1TSHR
SCHEMBL10460872 0.98 KMT2A (0.64) MAOBKMT2APRSS1MEN1TSHR
SCHEMBL29842346 0.94 KMT2A (0.66) MAOBKMT2APRSS1MEN1TSHR
SCHEMBL470710 0.94 KMT2A (0.66) MAOBKMT2APRSS1MEN1TSHR
SCHEMBL1544858 0.91 KMT2A (0.62) MAOBKMT2APRSS1MEN1TSHR
SCHEMBL6856717 0.89 KMT2A (0.76) MAOBKMT2APRSS1MEN1TSHR
SCHEMBL1545288 0.87 KMT2A (0.64) MAOBKMT2APRSS1MEN1TSHR
SCHEMBL22502336 0.87 THRA (0.64) MAOBKMT2APRSS1MEN1TSHR
SCHEMBL4375986 0.85 MAPT (0.59) MAOBKMT2APRSS1TSHRTHRA
SCHEMBL1545237 0.85 TSHR (0.69) PRSS1TSHRMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed