SCHEMBL13243253

SCHEMBL13243253

CCC(CC)C(=O)Oc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ LMNA P02545 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ THRA P10827 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 2/20 0.47

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
SCHEMBL12044287 0.83 L3MBTL1 (0.56) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL12044225 0.77 KMT2A (0.67) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL8522419 0.77 L3MBTL1 (0.72) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL6054998 0.76 L3MBTL1 (0.76) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL7300382 0.76 L3MBTL1 (0.67) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL10863434 0.76 L3MBTL1 (0.71) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL28987534 0.74 L3MBTL1 (0.72) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL10116581 0.72 L3MBTL1 (0.58) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL20511438 0.72 LMNA (0.63) L3MBTL1KDM4ELMNAALDH1A1HPGD
SCHEMBL10529562 0.72 MEN1 (0.81) L3MBTL1KDM4EMEN1KMT2ALMNA

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
WO-2010088408-A2 SUBUNIT SELECTIVE NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 — — WO disclosed
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