SCHEMBL9876995

SCHEMBL9876995

O=CNC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(O)CS[C@H]12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ SLC15A2 Q16348 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ BLM P54132 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HTR2B P41595 1/20 0.48

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
SCHEMBL9876998 1.00 HSD17B10 (0.48) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL11090140 0.89 ALDH1A1 (0.59) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL11090143 0.89 ALDH1A1 (0.59) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL11585209 0.89 ALDH1A1 (0.59) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL11585206 0.89 ALDH1A1 (0.59) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL11577111 0.88 ALDH1A1 (0.52) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL11577116 0.88 ALDH1A1 (0.52) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL7806298 0.87 PTGS1 (0.49) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL11586495 0.87 TDP1 (0.55) HSD17B10ALDH1A1MAPTTDP1KDM4E
SCHEMBL11586499 0.87 TDP1 (0.55) HSD17B10ALDH1A1MAPTTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985555-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 — — US disclosed
US-4871730-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 — — US disclosed
EP-0268307-A2 New starting compounds for cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-25 — — EP disclosed
EP-0133678-A2 New cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-06 — — EP disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 — — US disclosed
US-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 — — US disclosed
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