SCHEMBL8629548

SCHEMBL8629548

CCOC(=O)Cc1c(C)nc(S)nc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 9/20 0.50
HSD17B10 Q99714 3/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 6/20 0.45
TDP1 Q9NUW8 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.42
CYP2C9 P11712 2/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7500533 0.81 SMN1; SMN2 (0.41) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL7819539 0.81 MAPK1 (0.52) MAPK1KDM4EHSD17B10USP2TSHR
SCHEMBL12480437 0.78 MAPK1 (0.51) MAPK1KDM4EHSD17B10USP2TSHR
SCHEMBL27834209 0.77 L3MBTL1 (0.55) MAPK1KDM4EHSD17B10TSHRHPGD
SCHEMBL21996618 0.76 MAPK1 (0.50) MAPK1KDM4EHSD17B10USP2TSHR
SCHEMBL4686439 0.76 MAPK1 (0.48) MAPK1KDM4EHSD17B10USP2TSHR
SCHEMBL1060382 0.75 MAPK1 (0.56) MAPK1KDM4EHSD17B10USP2TSHR
SCHEMBL25664507 0.72 GAA (0.57) MAPK1KDM4EHSD17B10ALDH1A1L3MBTL1
Bicarbonate SCHEMBL11820621 0.71 ADORA3 (0.37) KDM4EHSD17B10HPGDALDH1A1L3MBTL1
SCHEMBL1034112 0.71 MAPK1 (0.52) MAPK1KDM4EHSD17B10USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed