SCHEMBL8629455

SCHEMBL8629455

CCOC(=O)C(OC)c1nn[c][nH]1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CTSK P43235 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 2/20 0.30

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
SCHEMBL8628285 0.70 POLB (0.33) PDE4DALDH1A1SMN1; SMN2CTSKLMNA
SCHEMBL8632044 0.69 POLB (0.33) LMNAHTTMAPK1POLB
SCHEMBL8630672 0.68 KDM4E (0.44) PDE4DALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL8626203 0.68 LMNA (0.30) ALDH1A1LMNAHTT
SCHEMBL8625346 0.66 HSD17B10 (0.47) ALDH1A1SMN1; SMN2LMNAMAPK1CA12
SCHEMBL11416509 0.62 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2LMNAHTTMAPK1
SCHEMBL11419206 0.62 LMNA (0.38) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL8629452 0.61 CA12 (0.39) PDE4DALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6354460 0.61 CA12 (0.47) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL12951609 0.61 MMP8 (0.54) ALDH1A1SMN1; SMN2LMNAPOLB

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