SCHEMBL10834932

SCHEMBL10834932

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)/C(=N\OCc3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.47
▸ NR1I2 O75469 3/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ TDP1 Q9NUW8 7/20 0.42
▸ APEX1 P27695 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ LMNA P02545 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
▸ MAPT P10636 4/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ SLC22A6 Q4U2R8 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
SCHEMBL10834938 1.00 PTGS1 (0.47) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL10834350 0.92 NR1I2 (0.42) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL10834352 0.92 NR1I2 (0.42) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL6362891 0.91 PTGS1 (0.55) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL6362892 0.91 PTGS1 (0.55) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL10762469 0.91 MAPT (0.53) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL11283553 0.89 PTGS1 (0.47) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL11283556 0.89 PTGS1 (0.47) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL10850361 0.87 PTGS1 (0.48) PTGS1NR1I2HTR2CABCB11PDE4D
SCHEMBL10850349 0.87 PTGS1 (0.48) PTGS1NR1I2HTR2CABCB11PDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4608373-A BACTERICIDES, ANTIBIOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-08-26 — — US disclosed
EP-0112164-A2 Cephem compounds, and their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-06-27 — — EP disclosed
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