SCHEMBL8868981

SCHEMBL8868981

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NR1I2 O75469 5/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ TDP1 Q9NUW8 6/20 0.52
▸ PGR P06401 3/20 0.52
▸ PPARG P37231 3/20 0.52
▸ APEX1 P27695 3/20 0.52
▸ APAF1 O14727 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PLCG1 P19174 1/20 0.52
▸ ABCC2 Q92887 1/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ SLC22A6 Q4U2R8 2/20 0.51

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
SCHEMBL8868976 1.00 PTGS1 (0.53) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL10646060 0.92 TDP1 (0.53) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL10646054 0.92 TDP1 (0.53) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL11109815 0.91 PTGS1 (0.54) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL11109827 0.91 PTGS1 (0.54) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL8868304 0.91 NR1I2 (0.62) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL8868312 0.91 NR1I2 (0.62) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL8867986 0.91 KMT2A (0.43) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL8867976 0.91 KMT2A (0.43) PTGS1ABCB11PDE4DKMT2ANR1I2
SCHEMBL10976311 0.89 NR1I2 (0.65) KMT2ANR1I2HTR2CTDP1PGR

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 6 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
EP-0029557-A2 7-Acylamino-3-substituted cephalosporanic acid derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-03 — — EP disclosed
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