SCHEMBL8867986

SCHEMBL8867986

CSCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(=NOCC(=O)OC(C)(C)C)c3csc(NC=O)n3)[C@@H]2SC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ TDP1 Q9NUW8 6/20 0.42
▸ APEX1 P27695 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
▸ PLCG1 P19174 1/20 0.42
▸ ABCC2 Q92887 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ NR1I2 O75469 5/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ PGR P06401 3/20 0.42
▸ PPARG P37231 3/20 0.42
▸ ESR1 P03372 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
SCHEMBL8867976 1.00 KMT2A (0.43) KMT2APTGS1ABCB11PDE4DTDP1
SCHEMBL11392316 0.95 KMT2A (0.45) KMT2APTGS1ABCB11PDE4DTDP1
SCHEMBL11392321 0.95 KMT2A (0.45) KMT2APTGS1ABCB11PDE4DTDP1
SCHEMBL9482468 0.94 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DTDP1
SCHEMBL9482476 0.94 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DTDP1
SCHEMBL9481080 0.93 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DTDP1
SCHEMBL9481088 0.93 PTGS1 (0.44) KMT2APTGS1ABCB11PDE4DTDP1
Iodide SCHEMBL9481595 0.92 PTGS1 (0.42) KMT2APTGS1ABCB11PDE4DTDP1
Iodide SCHEMBL9743725 0.92 PTGS1 (0.42) KMT2APTGS1ABCB11PDE4DTDP1
Iodide SCHEMBL10463738 0.92 PTGS1 (0.42) KMT2APTGS1ABCB11PDE4DTDP1

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-5594132-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 — — US disclosed
US-5026695-A Gram negative-gram positive microbiocides, oral adminis tration FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-25 — — US disclosed
US-4904652-A 7-acylamino-3-substituted cephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
US-4462999-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-31 — — US disclosed
US-4409215-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-11 — — US disclosed
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