SCHEMBL9657504

SCHEMBL9657504

[CH2]C(C)(CCCC(=O)N1CCCC1)C(=O)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ACHE P22303 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
SCHEMBL11923449 0.81 ATM (0.63) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL20112842 0.80 KMT2A (0.61) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL21015227 0.79 ATM (0.65) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL25867748 0.78 ATM (0.63) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL19574270 0.76 L3MBTL1 (0.50) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL21015910 0.76 L3MBTL1 (0.65) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL13202812 0.75 L3MBTL1 (0.62) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL19574089 0.74 ATM (0.95) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL28366947 0.74 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1
SCHEMBL10722542 0.74 ATM (0.85) ATMKMT2AMEN1L3MBTL1TDP1

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
EP-0515420-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1992-12-02 — — EP disclosed
WO-1991012230-A1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1991-08-22 — — WO disclosed
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