SCHEMBL8069034

SCHEMBL8069034

CCOC(=O)c1c(C(O)c2cc3c(cc2[N+](=O)[O-])OCO3)nnn1Cc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 12/20 0.44
MAPT P10636 7/20 0.44
KDM4E B2RXH2 6/20 0.43
CYP19A1 P11511 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.41
UCHL1 P09936 1/20 0.41
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL7827030 0.89 UCHL1 (0.42) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5515660 0.89 UCHL1 (0.41) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8071924 0.87 CYP19A1 (0.48) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL7827679 0.87 UCHL1 (0.40) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL7827515 0.87 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTCYP19A1
SCHEMBL7823440 0.87 UCHL1 (0.41) MEN1KMT2AALDH1A1MAPTCYP19A1
SCHEMBL8071411 0.86 UCHL1 (0.39) MEN1KMT2AALDH1A1MAPTUCHL1
SCHEMBL7816227 0.85 UCHL1 (0.42) ALDH1A1MAPTKDM4ECYP19A1HTT
SCHEMBL7826821 0.85 UCHL1 (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7824948 0.85 MAOB (0.43) MEN1KMT2AALDH1A1MAPTLMNA

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