SCHEMBL8628207

SCHEMBL8628207

Cc1n[c]cc(SCC(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 1/20 0.41
PRNP P04156 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 2/20 0.40
BCAT2 O15382 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
APEX1 P27695 1/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL11589363 0.70 ALDH1A1 (0.49) POLBKDM4EALOX15PRNPRXFP1
SCHEMBL8629920 0.69 KDM4E (0.42) KDM4EALOX15PRNPRXFP1GAA
SCHEMBL972476 0.63 KDM4E (0.40) KDM4EALOX15PRNPRXFP1GAA
SCHEMBL5717697 0.62 GAA (0.66) POLBKDM4EALOX15GAAALDH1A1
SCHEMBL9667136 0.61 ALOX15 (0.53) KDM4EALOX15PRNPRXFP1GAA
SCHEMBL6892230 0.60 CYP2C9 (0.77) POLBKDM4EPRNPRXFP1GAA
SCHEMBL31018197 0.60 ALDH1A1 (0.43) POLBKDM4EALOX15BCAT2ALDH1A1
SCHEMBL21612756 0.60 ALDH1A1 (0.43) POLBKDM4EALOX15BCAT2ALDH1A1
SCHEMBL31555055 0.59 KDM4E (0.54) KDM4EPRNPRXFP1GAAALDH1A1
SCHEMBL17379906 0.59 POLB (0.53) POLBKDM4EALOX15ALDH1A1RAB9A

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 6 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-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed