SCHEMBL9023217

SCHEMBL9023217

CC(=O)Oc1ccc(C=CC2=C(OC(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c4csc(N)n4)[C@H]3SC2)cc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.53
▸ ESR1 P03372 2/20 0.53
▸ PPARG P37231 2/20 0.53
▸ PGR P06401 2/20 0.53
▸ TDP1 Q9NUW8 7/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ APEX1 P27695 3/20 0.48
▸ APAF1 O14727 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PLCG1 P19174 1/20 0.48
▸ ABCC2 Q92887 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ USP2 O75604 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 5/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ ALB P02768 1/20 0.47

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
SCHEMBL9023241 0.92 NR1I2 (0.56) NR1I2ESR1PPARGPGRTDP1
SCHEMBL9023379 0.92 TDP1 (0.56) NR1I2ESR1PPARGPGRTDP1
SCHEMBL9023364 0.91 TDP1 (0.60) NR1I2ESR1PPARGPGRTDP1
SCHEMBL9023758 0.91 NR1I2 (0.54) NR1I2ESR1PPARGPGRTDP1
SCHEMBL5712684 0.88 TDP1 (0.55) NR1I2ESR1PPARGPGRTDP1
SCHEMBL5712723 0.88 NR1I2 (0.55) NR1I2ESR1PPARGPGRTDP1
SCHEMBL9023371 0.87 NR1I2 (0.56) NR1I2ESR1PPARGPGRTDP1
SCHEMBL9023125 0.84 NR1I2 (0.64) NR1I2PPARGPGRTDP1HSD17B10
SCHEMBL9022942 0.84 NR1I2 (0.64) NR1I2PPARGPGRTDP1HSD17B10
SCHEMBL9023649 0.83 NR1I2 (0.58) NR1I2ESR1PPARGPGRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357089-B1 Novel cephem compound as an antimicrobial agent and its preparation MEJI SEIKA K K (JP) 1996-03-06 — — EP claimed
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