SCHEMBL27259754

SCHEMBL27259754

CC(=O)Oc1cc(C(=O)O)cnc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
CFD P00746 2/20 0.41
PKM P14618 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC4 O15439 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CHRM2 P08172 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL27424167 0.90 TSHR (0.55) KDM4EALDH1A1TSHRGAARAB9A
SCHEMBL27406467 0.81 TSHR (0.41) KDM4EALDH1A1TSHRGAARAB9A
SCHEMBL8785740 0.78 PTGS2 (0.50) TSHRRAB9APKMLMNATTR
SCHEMBL8090536 0.76 PTGS2 (0.47) KDM4ETSHRRAB9APKMHPGD
SCHEMBL29612133 0.75 PTGS2 (0.55) TSHRRAB9APKMLMNATTR
SCHEMBL7652014 0.75 PTGS2 (0.55) TSHRRAB9APKMLMNATTR
SCHEMBL27371818 0.72 TSHR (0.53) TSHRGAAMEN1LMNAMAPT
SCHEMBL28391763 0.72 L3MBTL1 (0.41) KDM4EALDH1A1TSHRGAARAB9A
3,4,5-Triacetoxybenzoic Acid SCHEMBL716891 0.72 KDM4E (0.63) KDM4EALDH1A1TSHRGAARAB9A
SCHEMBL8830887 0.72 KDM4E (0.63) KDM4EALDH1A1TSHRGAARAB9A

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
CN-1025737-C Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-24 CN disclosed
CN-1038814-A Cephem compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1990-01-17 CN disclosed