SCHEMBL8542183

SCHEMBL8542183

C=CCOc1cc(C(=O)O)cc(/C=N/OC)c1OCC=C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
KDM4E B2RXH2 6/20 0.45
HPGD P15428 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.45
CASP6 P55212 1/20 0.45
MCL1 Q07820 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL8542186 1.00 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL8543891 0.88 L3MBTL1 (0.42) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL8543892 0.88 L3MBTL1 (0.42) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL5572235 0.81 GAA (0.50) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL8542113 0.80 KDM4E (0.55) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL27317680 0.77 TPMT (0.55) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL8542090 0.74 KMT2A (0.52) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL9130382 0.73 KDM4E (0.41) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL8542054 0.71 GAA (0.42) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL3547387 0.71 KDM4E (0.57) SMN1; SMN2KDM4EHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584085-B1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5554606-A THIENAMYCIN DERIVATIVES; PSEUDOMONAS ZENECA LIMITED (GB) 1996-09-10 US disclosed
EP-0584085-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-03-02 EP disclosed
WO-1992017479-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed