SCHEMBL9022340

SCHEMBL9022340

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIK3CG P48736 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
DRD3 P35462 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
SCHEMBL9022337 0.93 L3MBTL1 (0.53) KDM4EHTTHSD17B10KMT2AALDH1A1
SCHEMBL9021139 0.91 PIK3CG (0.47) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL9021423 0.88 KDM4E (0.51) KDM4EHTTHSD17B10KMT2AALDH1A1
SCHEMBL9021173 0.83 L3MBTL1 (0.52) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL9329792 0.83 L3MBTL1 (0.52) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL9743438 0.83 L3MBTL1 (0.53) KDM4EHTTHSD17B10KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL9022988 0.83 HSD17B10 (0.52) KDM4EHTTHSD17B10KMT2AALDH1A1
SCHEMBL9022061 0.83 KDM4E (0.46) KDM4EHTTHSD17B10KMT2AALDH1A1
SCHEMBL9745641 0.83 L3MBTL1 (0.52) KDM4EHTTHSD17B10KMT2AALDH1A1
SCHEMBL9745653 0.83 L3MBTL1 (0.52) KDM4EHTTHSD17B10KMT2AALDH1A1

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