SCHEMBL9022337

SCHEMBL9022337

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)OCC4=C(C(=O)O)N5C(=O)[C@H](NC(=O)COc6ccccc6)[C@@H]5SC4)CC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 9/20 0.51
HTT P42858 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PIK3CG P48736 2/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 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
SCHEMBL9022340 0.93 KDM4E (0.50) KDM4EHTTHSD17B10KMT2AMEN1
SCHEMBL9329792 0.91 L3MBTL1 (0.52) L3MBTL1KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL9743438 0.91 L3MBTL1 (0.53) L3MBTL1KDM4EHTTHSD17B10KMT2A
SCHEMBL9021173 0.91 L3MBTL1 (0.52) L3MBTL1KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL9745641 0.89 L3MBTL1 (0.52) L3MBTL1KDM4EHTTHSD17B10KMT2A
SCHEMBL9745653 0.89 L3MBTL1 (0.52) L3MBTL1KDM4EHTTHSD17B10KMT2A
SCHEMBL9744839 0.89 L3MBTL1 (0.52) L3MBTL1KDM4EHTTHSD17B10KMT2A
SCHEMBL9021420 0.88 KDM4E (0.52) KDM4EHTTHSD17B10KMT2AMEN1
SCHEMBL9743994 0.87 L3MBTL1 (0.54) L3MBTL1KDM4EHSD17B10KMT2AMEN1
SCHEMBL9743435 0.86 L3MBTL1 (0.47) L3MBTL1KDM4EHTTHSD17B10KMT2A

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-0335297-B1 Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1996-03-13 EP disclosed