SCHEMBL9504886

SCHEMBL9504886

COc1ccc(COC(=O)C2=CS[C@@H]3C(=C(CCOC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)c4c[nH]nn4)C(=O)N23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.38
SLC6A1 P30531 2/20 0.38
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL10468445 0.83 ALDH1A1 (0.32) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL9663763 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8809346 0.69 MMP9 (0.43) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL8807239 0.64 MMP1 (0.43)
SCHEMBL7172605 0.64 MMP1 (0.43)
SCHEMBL2923216 0.64 MMP1 (0.43)
SCHEMBL8807243 0.64 MMP1 (0.43)
SCHEMBL8888422 0.64 MMP1 (0.43)
SCHEMBL30861823 0.63 SLC6A11 (0.53) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL9384795 0.62 ELANE (0.44)

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-0321187-B1 6-(SUBSTITUTED METHYLENE)PENEMS BEECHAM GROUP PLC (GB) 1993-07-28 EP disclosed
US-4931434-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-06-05 US disclosed
EP-0321186-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed
EP-0321187-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed