SCHEMBL11235640

SCHEMBL11235640

COc1ccc(COC(=O)Nc2cc[c]cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
ATM Q13315 1/20 0.49
MIF P14174 1/20 0.48
MAPT P10636 1/20 0.47
KLK7 P49862 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 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
SCHEMBL3034797 0.85 MIF (0.60) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL11813314 0.85 TP53 (0.68) ALDH1A1SMN1; SMN2POLBLMNATP53
SCHEMBL1223807 0.82 RAB9A (0.67) ALDH1A1SMN1; SMN2POLBLMNATP53
SCHEMBL1298236 0.82 POLB (0.68) ALDH1A1SMN1; SMN2POLBLMNATP53
SCHEMBL8867363 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL8867357 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL6743384 0.79 MAPT (0.62) ALDH1A1SMN1; SMN2POLBLMNATP53
SCHEMBL25304122 0.79 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL31043917 0.79 MAPT (0.61) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL11183813 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338436-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4338439-A BACTERICIDAL ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4319028-A 7-(2-(Substituted benzoyl)amino)acetamido)cephalosporins ELI LILLY AND COMPANY (US) 1982-03-09 US disclosed