SCHEMBL8066942

SCHEMBL8066942

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
AKR1C3 P42330 10/20 0.40
AKR1C2 P52895 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
UCHL1 P09936 1/20 0.37

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
SCHEMBL8071906 0.94 ALDH1A1 (0.44) MKNK2ALDH1A1KMT2AHPGDAKR1C3
SCHEMBL8067007 0.90 KMT2A (0.45) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL8073462 0.89 MKNK2 (0.46) MKNK2ALDH1A1KMT2AHPGDAKR1C3
SCHEMBL7816556 0.87 LMNA (0.44) ALDH1A1KMT2AHPGDAKR1C3PTGDR2
SCHEMBL7822742 0.85 SMN1; SMN2 (0.43) ALDH1A1KMT2AHPGDMEN1HSD17B10
SCHEMBL8067988 0.85 MKNK2 (0.43) MKNK2ALDH1A1KMT2AHPGDAKR1C3
SCHEMBL8071430 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL7817355 0.84 UCHL1 (0.41) ALDH1A1KMT2AHPGDAKR1C3MEN1
SCHEMBL8927793 0.84 HPGD (0.40) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL8057450 0.83 ALDH1A1 (0.42) MKNK2ALDH1A1KMT2AHPGDAKR1C3

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