SCHEMBL9190141

SCHEMBL9190141

O=C(O)c1ccccc1C1([N+](=O)[O-])C=CC(C(=O)O)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 3/20 0.38
ALOX15 P16050 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HMGB1 P09429 1/20 0.33
HPGD P15428 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

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
SCHEMBL5696804 0.83 TDP1 (0.35) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9141248 0.83 MAPT (0.32) MAPTHDAC8
SCHEMBL9003752 0.76 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPOLBALOX15
SCHEMBL5314132 0.66
Phthalic Acid SCHEMBL6005537 0.64 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EMEN1KMT2A
Phthalic Acid SCHEMBL16280460 0.64 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EMEN1KMT2A
Phthalic Acid SCHEMBL6005530 0.64 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL381122 0.64
SCHEMBL29408722 0.63 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EPOLBALOX15
SCHEMBL6443676 0.63 MAPT (0.34) ALDH1A1MAPTKMT2AALOX15GAA

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
EP-0670855-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP disclosed
WO-1994012555-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO disclosed