SCHEMBL9735817

SCHEMBL9735817

COCCOCOc1ccc(CON=C(C(=O)NC2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CCl)CS[C@@H]23)c2csc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1OCOCCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ NR1I2 O75469 6/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MAPT P10636 3/20 0.38
▸ PPARG P37231 3/20 0.38
▸ SLC22A6 Q4U2R8 2/20 0.38
▸ SLC22A8 Q8TCC7 2/20 0.38
▸ SLC22A11 Q9NSA0 2/20 0.38
▸ ALB P02768 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 7/20 0.37
▸ APEX1 P27695 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ABCC4 O15439 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL9735814 1.00 PTGS1 (0.41) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9365473 0.95 PTGS1 (0.42) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9365466 0.95 PTGS1 (0.42) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9361189 0.94 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9361192 0.94 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9360334 0.94 NR1I2 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9360352 0.94 NR1I2 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9734871 0.91 PTGS1 (0.40) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9734880 0.91 PTGS1 (0.40) PTGS1ABCB11PDE4DNR1I2HTR2C
Hydrochloric Acid SCHEMBL9734529 0.89 KMT2A (0.37) PTGS1ABCB11PDE4DNR1I2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238061-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-10-21 — — EP disclosed
US-4988687-A Thiazoleoxyimineacetamido carboxymethylpyridinium derivatives of cephalosporins BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1991-01-29 — — US disclosed
US-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 — — US disclosed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 — — EP disclosed
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