SCHEMBL9130382

SCHEMBL9130382

C=CCOc1cc(C(=O)O)cc(S(C)(=O)=O)c1OCC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 3/20 0.40
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CASP6 P55212 1/20 0.36
MCL1 Q07820 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL9132668 0.87 KDM4E (0.40) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL5572235 0.84 GAA (0.50) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL8542113 0.80 KDM4E (0.55) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL8542090 0.77 KMT2A (0.52) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL27317680 0.77 TPMT (0.55) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL8542054 0.74 GAA (0.42) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL262782 0.73 SMN1; SMN2 (0.43) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL8542183 0.73 SMN1; SMN2 (0.45) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL8542186 0.73 SMN1; SMN2 (0.45) KDM4EGAATSHRSMN1; SMN2NPC1
SCHEMBL9130003 0.72 TPMT (0.60) KDM4EGAASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5447925-A Carbapenems with side-chain S; use to treat infections IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-09-05 US disclosed
EP-0580632-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-02-02 EP disclosed
WO-1992017480-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed