SCHEMBL9013350

SCHEMBL9013350

O=CN[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ HSD17B10 Q99714 6/20 0.47
▸ TDP1 Q9NUW8 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ SLC15A2 Q16348 2/20 0.47
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ NR1I2 O75469 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL9013344 1.00 PTGS1 (0.48) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL7806297 0.91 PTGS1 (0.49) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL27285295 0.91 PTGS1 (0.49) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL7806298 0.91 PTGS1 (0.49) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL11469353 0.91 PTGS1 (0.50) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL11673670 0.91 PTGS1 (0.50) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL11673674 0.91 PTGS1 (0.50) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL11469355 0.91 PTGS1 (0.50) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL14074295 0.89 PTGS1 (0.48) PTGS1ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL18623606 0.89 PTGS1 (0.48) PTGS1ALDH1A1HSD17B10TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345671-B1 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-08-21 — — EP disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 — — US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 — — US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 — — US disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 — — EP disclosed
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