SCHEMBL8204960

SCHEMBL8204960

O=C1C(=O)c2cc(O)c([N+](=O)[O-])c([N+](=O)[O-])c2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
PTPRC P08575 3/20 0.50
S100A4 P26447 3/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
CASP6 P55212 1/20 0.50
BCL2 P10415 3/20 0.47
MCL1 Q07820 3/20 0.47
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL11515026 0.90 ALDH1A1 (0.56) MAPTPOLBAPEX1CASP6BCL2
SCHEMBL11775580 0.80 ALDH1A1 (0.54) MAPTPOLBAPEX1CASP6BCL2
SCHEMBL7435273 0.79 BCL2 (0.63) MAPTPOLBAPEX1CASP6BCL2
SCHEMBL9353886 0.78 S100A4 (0.55) MAPTPTPRCS100A4POLBAPEX1
SCHEMBL919023 0.75 ALDH1A1 (0.57) MAPTPTPRCS100A4POLBAPEX1
SCHEMBL11076561 0.75 BCL2 (0.53) MAPTPOLBAPEX1CASP6BCL2
SCHEMBL10626632 0.73 MAPT (0.53) MAPTPTPRCS100A4POLBAPEX1
SCHEMBL10355812 0.72 ALDH1A1 (0.67) MAPTPTPRCS100A4POLBAPEX1
SCHEMBL11424411 0.72 ALDH1A1 (0.62) MAPTPTPRCS100A4POLBAPEX1
SCHEMBL11515022 0.72 ALDH1A1 (0.57) MAPTPTPRCS100A4POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
US-4933399-A COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-06-12 US disclosed
EP-0320227-A2 Method of preventing polymer-scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1989-06-14 EP disclosed