SCHEMBL8869474

SCHEMBL8869474

N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4c(c3)oc3c(CCl)cccc34)CS[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SPOP O43791 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.31
▸ MAPT P10636 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ SLC15A2 Q16348 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL8670569 1.00 KDM4E (0.36) KDM4EHSD17B10TDP1TSHRSPOP
SCHEMBL8673423 0.94 KDM4E (0.36) KDM4EHSD17B10TDP1TSHRSPOP
SCHEMBL8868640 0.94 HSD17B10 (0.37) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8673687 0.94 HSD17B10 (0.37) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8671750 0.86 KDM4E (0.39) KDM4EHSD17B10TDP1TSHRSPOP
SCHEMBL8673308 0.85 HSD17B10 (0.39) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8673312 0.85 HSD17B10 (0.39) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8673723 0.85 HSD17B10 (0.37) KDM4EHSD17B10TDP1TSHRSPOP
SCHEMBL8868772 0.85 HSD17B10 (0.37) KDM4EHSD17B10TDP1TSHRSPOP
SCHEMBL8870561 0.85 MAPK1 (0.50) KDM4EHSD17B10TDP1SPOPALDH1A1

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-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 — — US disclosed
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 — — US disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 — — US disclosed
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