SCHEMBL9205751

SCHEMBL9205751

CC1(C)Oc2ccc(C(=O)c3cccnc3C(=O)O)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 7/20 0.48
ALOX15 P16050 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
AGER Q15109 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
DHODH Q02127 2/20 0.37
GAA P10253 3/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MYC P01106 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL7367755 0.80 SRD5A2 (0.57) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL7367595 0.75 KDM4E (0.67) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL3255990 0.74 ALDH1A1 (0.52) KDM4EALDH1A1ALOX15MAPTTSHR
SCHEMBL6987666 0.74 ALDH1A1 (0.61) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL7366799 0.73 POLB (0.63) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL7526709 0.73 ALDH1A1 (0.56) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL296670 0.73 KDM4E (0.69) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL9635664 0.72 KDM4E (0.80) KDM4EALDH1A1ALOX15CYP3A4MAPT
Hydrochloric Acid SCHEMBL7853761 0.72 KDM4E (0.67) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL7364079 0.71 KDM4E (0.61) KDM4EALDH1A1ALOX15CYP3A4MAPT

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-0341948-B1 Cephalosporins, process for their preparation and pharmaceutical compositions ICI PLC (GB) 1995-01-11 EP disclosed
US-5149803-A Intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-22 US disclosed
US-5055462-A CEPHALOSPORIN COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-08 US disclosed
EP-0341948-A2 Cephalosporins, process for their preparation and pharmaceutical compositions ZENECA LIMITED (GB) 1989-11-15 EP disclosed