SCHEMBL9204591

SCHEMBL9204591

CCO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ NR1I2 O75469 5/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ PPARG P37231 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ SLC22A11 Q9NSA0 1/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ PGR P06401 2/20 0.43
▸ TDP1 Q9NUW8 7/20 0.42
▸ APEX1 P27695 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL9827358 1.00 PTGS1 (0.45) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10367629 0.94 PTGS1 (0.46) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9360441 0.94 PTGS1 (0.46) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9360449 0.94 PTGS1 (0.46) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10367628 0.94 PTGS1 (0.46) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10636340 0.94 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9196828 0.94 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9361691 0.94 PTGS1 (0.52) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10635746 0.94 PTGS1 (0.52) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9200236 0.94 PTGS1 (0.52) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452987-B1 Isoindoline derivatives BANYU PHARMA CO LTD (JP) 1995-03-01 — — EP disclosed
EP-0186187-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-02-26 — — EP disclosed
EP-0452987-A1 Isoindoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-23 — — EP disclosed
EP-0182210-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 — — EP disclosed
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 — — US disclosed
US-4677100-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-06-30 — — US disclosed
EP-0186187-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-02 — — EP disclosed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 — — EP disclosed
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