SCHEMBL9570672

SCHEMBL9570672

CC(=O)Nc1ccc(OCCCCCCCCCCCCOc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.75
LMNA P02545 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
CYP1A2 P05177 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.62
HTT P42858 1/20 0.59
GAA P10253 1/20 0.59
FAAH O00519 7/20 0.58
TBXAS1 P24557 1/20 0.58
RAB9A P51151 1/20 0.56

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
SCHEMBL9570550 1.00 ALDH1A1 (0.75) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL10802880 0.94 ALDH1A1 (0.77) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL16316826 0.93 FAAH (0.68) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL9885419 0.93 FAAH (0.68) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL8733277 0.93 FAAH (0.68) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL11111056 0.92 ALDH1A1 (0.80) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL5682930 0.92 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL3092909 0.92 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL7491784 0.91 LMNA (0.70) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL3223930 0.91 LMNA (0.74) ALDH1A1LMNAMEN1KMT2ACYP1A2

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-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed