SCHEMBL9319953

SCHEMBL9319953

CC(NC(=O)OC(C)(C)C)n1cc(C(=O)O)c(=O)c2cc(O)c(O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.35
KDM4E B2RXH2 5/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
METTL3 Q86U44 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9319939 0.75 ALDH1A1 (0.42) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL9840700 0.72 ALDH1A1 (0.44) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL9321255 0.68 LMNA (0.51) SRCKDM4EHPGDALDH1A1HSD17B10
SCHEMBL9424928 0.66 LMNA (0.41) SRCKDM4EHPGDALDH1A1HSD17B10
SCHEMBL3002686 0.66 PTPN1 (0.40) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL9318828 0.65 KDM4E (0.65) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL29168929 0.64 CTSK (0.39) KDM4EMAPTCA1CA2CA9
SCHEMBL29168933 0.64 CTSK (0.39) KDM4EMAPTCA1CA2CA9
SCHEMBL23515051 0.64 ALDH1A1 (0.44) KDM4EHPGDALDH1A1HSD17B10TSHR
SCHEMBL14845162 0.64 KDM4E (0.57) KDM4EHPGDALDH1A1HSD17B10MAPT

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-5371220-A Bicyclo-heterocyclic intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-06 US disclosed
US-5232918-A Bactericides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 US disclosed