SCHEMBL11685643

SCHEMBL11685643

CCCOC(=O)Cc1ccc(NC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
KLK7 P49862 5/20 0.54
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
PPID Q08752 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL10685516 0.87 PPID (0.63) KMT2AKLK7PPIDALDH1A1LMNA
SCHEMBL31225554 0.83 PPID (0.59) KMT2AKLK7PPIDALDH1A1LMNA
SCHEMBL22089643 0.82 KMT2A (0.63) KMT2AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL5542953 0.78 ALDH1A1 (0.46) KLK7ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL2400474 0.78 KMT2A (0.51) KMT2AHPGDALDH1A1MEN1CYP1A2
SCHEMBL1885468 0.78 ALDH1A1 (0.58) HPGDALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL1133893 0.77 KMT2A (0.74) KMT2AHPGDRECQLALDH1A1LMNA
SCHEMBL11002749 0.77 LMNA (0.58) KMT2AHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL13481189 0.77 KLK7 (0.52) KMT2AKLK7HPGDALDH1A1SMN1; SMN2
SCHEMBL11038201 0.77 CYP1A2 (0.47) PPIDALDH1A1LMNASMN1; SMN2MAPT

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-4002682-A CHEMICAL INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JA) 1977-01-11 US disclosed
US-3952044-A INTERMEDIATES SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-04-20 US disclosed