SCHEMBL5153662

SCHEMBL5153662

Cc1ccc(C(=O)O)c(O[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ TSHR P16473 6/20 0.41
▸ HPGD P15428 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL29046043 0.86 PKM (0.55) PKMALDH1A1TDP1TSHRHPGD
SCHEMBL28003672 0.83 DTYMK (0.44) PKMALDH1A1TDP1TSHRCYP3A4
SCHEMBL28300921 0.81 TSHR (0.53) PKMALDH1A1TDP1TSHRCYP3A4
SCHEMBL1548448 0.80 HPGD (0.40) PKMALDH1A1TDP1TSHRHPGD
SCHEMBL2381586 0.78 TSHR (0.54) PKMALDH1A1TDP1TSHRHPGD
SCHEMBL2598195 0.77 TDP1 (0.49) PKMALDH1A1TDP1TSHRHPGD
SCHEMBL5314234 0.77 ALDH1A1 (0.47) PKMALDH1A1TDP1TSHRHPGD
SCHEMBL29561089 0.76 TSHR (0.51) PKMALDH1A1TDP1TSHRCYP3A4
SCHEMBL1355836 0.76 TSHR (0.51) PKMALDH1A1TDP1TSHRCYP3A4
SCHEMBL17688824 0.76 ALDH1A1 (0.46) PKMALDH1A1TDP1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165151-B1 INDICATORS FOR MONITORING STERILIZATION WITH PLASMA PATEL GORDHANBHAI N (US) 2007-01-03 — — EP disclosed
EP-1281080-A4 COLOR CHANGING STEAM STERILIZATION INDICATOR JP LAB INC (US) 2006-03-22 — — EP disclosed
US-20030211618-A1 Color changing steam sterilization indicator JP LABORATORIES, INC. 2003-11-13 — — US disclosed
EP-1281080-A1 COLOR CHANGING STEAM STERILIZATION INDICATOR JP LABORATORIES, INC. (US) 2003-02-05 — — EP disclosed
EP-1165151-A1 INDICATORS FOR MONITORING STERILIZATION WITH PLASMA Patel, Gordhanbhai N. (US) 2002-01-02 — — EP disclosed
WO-2001086289-A1 COLOR CHANGING STEAM STERILIZATION INDICATOR JP LABORATORIES, INC. (US) 2001-11-15 — — WO disclosed
WO-2000061200-A1 INDICATORS FOR MONITORING STERILIZATION WITH PLASMA PATEL GORDHANBHAI N (US) 2000-10-19 — — WO disclosed
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