SCHEMBL8067988

SCHEMBL8067988

CCOC(=O)c1c(C(O)c2ccc(NC(=O)OC(C)(C)C)cc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
AKR1C3 P42330 11/20 0.38
AKR1C2 P52895 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 1/20 0.36
UCHL1 P09936 1/20 0.36
PTGER4 P35408 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL27387243 0.92 KMT2A (0.42) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL8067016 0.90 KMT2A (0.43) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL8057450 0.89 ALDH1A1 (0.42) MKNK2ALDH1A1KMT2AHPGDAKR1C3
SCHEMBL7816147 0.88 PTGDR2 (0.42) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL7827515 0.86 KMT2A (0.42) ALDH1A1KMT2AHPGDAKR1C3MEN1
SCHEMBL8066942 0.85 MKNK2 (0.44) MKNK2ALDH1A1KMT2AHPGDAKR1C3
SCHEMBL7826004 0.84 PTGER4 (0.41) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL7826821 0.83 UCHL1 (0.40) ALDH1A1KMT2AHPGDAKR1C3MEN1
SCHEMBL8071906 0.83 ALDH1A1 (0.44) MKNK2ALDH1A1KMT2AHPGDAKR1C3
SCHEMBL7827030 0.83 UCHL1 (0.42) ALDH1A1KMT2AHPGDAKR1C3MEN1

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-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed