SCHEMBL10467409

SCHEMBL10467409

COc1ccc(CC2=C(C(=O)O)N3C(=O)/C(=C/c4cn(CCO)nn4)[C@H]3S2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
IDH1 O75874 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8888122 0.78 MEN1 (0.30) MEN1KMT2A
SCHEMBL8887806 0.78 TSHR (0.36) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL7203141 0.75 MEN1 (0.31) MEN1KMT2A
Water SCHEMBL9326435 0.70
SCHEMBL8889147 0.66 ELANE (0.46) ALDH1A1MEN1KMT2AIDH1NPC1
SCHEMBL3736173 0.59 MEN1 (0.55) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL18262658 0.58 FPR2 (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18262657 0.58 FPR2 (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8806938 0.57 CA9 (0.43) MAPTALDH1A1
SCHEMBL10809442 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4923856-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-05-08 US disclosed
EP-0321186-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed