SCHEMBL9482468

SCHEMBL9482468

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

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 4/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ PPARG P37231 2/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ PGR P06401 1/20 0.43
▸ HSD17B10 Q99714 3/20 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
SCHEMBL9482476 1.00 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9481088 0.95 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9481080 0.95 PTGS1 (0.44) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL8867986 0.94 KMT2A (0.43) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL8867976 0.94 KMT2A (0.43) PTGS1ABCB11PDE4DTDP1APEX1
Iodide SCHEMBL9743725 0.93 PTGS1 (0.42) PTGS1ABCB11PDE4DTDP1APEX1
Iodide SCHEMBL9481595 0.93 PTGS1 (0.42) PTGS1ABCB11PDE4DTDP1APEX1
Iodide SCHEMBL10463738 0.93 PTGS1 (0.42) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL9743715 0.92 NR1I2 (0.41) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10643264 0.91 TDP1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252731-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 — — US disclosed
US-4960889-A CEPHALOSPORIN INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 — — US disclosed
US-4731443-A 7-acylamino-3-vinylcephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 — — US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 — — US disclosed
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