SCHEMBL9196828

SCHEMBL9196828

O=C(CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ TDP1 Q9NUW8 7/20 0.44
▸ APEX1 P27695 3/20 0.44
▸ APAF1 O14727 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PLCG1 P19174 1/20 0.44
▸ ABCC2 Q92887 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ PSMD14 O00487 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ NR1I2 O75469 6/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ PPARG P37231 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 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
SCHEMBL10636340 1.00 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL5712680 0.95 PTGS1 (0.43) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL5712682 0.95 PTGS1 (0.43) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9361240 0.94 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9361234 0.94 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9204591 0.94 PTGS1 (0.45) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9827358 0.94 PTGS1 (0.45) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9362001 0.93 PTGS1 (0.45) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9362010 0.93 PTGS1 (0.45) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10365136 0.93 PTGS1 (0.43) PTGS1ABCB11PDE4DTDP1APEX1

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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