SCHEMBL9371430

SCHEMBL9371430

O=C(OC(c1ccccc1)c1ccccc1)C1=C(CCl)CS[C@H]2C(NC(=O)c3ccccc3)C(=O)N12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.49
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ SLC15A2 Q16348 2/20 0.48
▸ CTDSP1 Q9GZU7 2/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ BLM P54132 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL9371427 1.00 PTGS1 (0.49) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL4341952 0.90 PTGS1 (0.54) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL4346431 0.90 PTGS1 (0.54) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL11281670 0.89 PTGS1 (0.48) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL18623606 0.89 PTGS1 (0.48) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL14074295 0.89 PTGS1 (0.48) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL9099342 0.88 TDP1 (0.58) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL6513287 0.88 TDP1 (0.58) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL9699338 0.88 TDP1 (0.58) PTGS1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL9699333 0.88 TDP1 (0.58) PTGS1MAPTALDH1A1HSD17B10KDM4E

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
EP-0237735-B1 3,7-Disubstituted-3-cephem compounds and process for production of the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-03-30 — — EP disclosed
US-4868174-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-19 — — US disclosed
EP-0237735-A2 3,7-Disubstituted-3-cephem compounds and process for production of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 — — EP disclosed
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