SCHEMBL11045973

SCHEMBL11045973

COc1ccc(C(CC(=O)Nc2ccccc2C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 3/20 0.68
▸ KMT2A Q03164 6/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CRHBP P24387 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ GAA P10253 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ RECQL P46063 2/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ TP53 P04637 1/20 0.56
▸ NPC1 O15118 1/20 0.55

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
SCHEMBL10951614 0.89 MEN1 (0.57) HCAR2KMT2AMEN1LMNAHTT
SCHEMBL14349697 0.83 HCAR2 (0.64) HCAR2KMT2AMEN1LMNANPSR1
SCHEMBL10946494 0.82 MEN1 (0.80) KMT2AMEN1LMNAHTTNPSR1
SCHEMBL8689332 0.81 HCAR2 (1.00) HCAR2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL8688582 0.79 HCAR2 (0.68) HCAR2KMT2AMEN1LMNAHTT
SCHEMBL27549736 0.79 HCAR2 (0.80) HCAR2GAAKDM4ESMN1; SMN2RAB9A
SCHEMBL10954626 0.79 LMNA (0.86) KMT2AMEN1LMNAHTTNPSR1
SCHEMBL14338416 0.76 F10 (0.77) HCAR2KMT2AMEN1LMNAHTT
SCHEMBL14340800 0.76 HCAR2 (0.81) HCAR2GAAKDM4E
SCHEMBL12861472 0.76 KMT2A (0.54) HCAR2KMT2AMEN1KDM4ETP53

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-0124791-A1 Aralkanamidophenyl compounds AMERICAN CYANAMID COMPANY (US) 1984-11-14 — — EP disclosed
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