SCHEMBL7816147

SCHEMBL7816147

CCOC(=O)c1c(C(O)c2ccc(NC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
AKR1C3 P42330 11/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SNCA P37840 1/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.41
AKR1C2 P52895 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
P2RY14 Q15391 1/20 0.39

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
SCHEMBL8067016 0.91 KMT2A (0.43) AKR1C3KMT2AALDH1A1HPGDMEN1
SCHEMBL7827515 0.89 KMT2A (0.42) AKR1C3KMT2AALDH1A1HPGDMEN1
SCHEMBL7825441 0.89 KMT2A (0.43) PTGDR2KMT2AALDH1A1HPGDSNCA
SCHEMBL8067988 0.88 MKNK2 (0.43) PTGDR2AKR1C3KMT2AALDH1A1HPGD
SCHEMBL7823440 0.85 UCHL1 (0.41) AKR1C3KMT2AALDH1A1HPGDMEN1
SCHEMBL7816556 0.84 LMNA (0.44) PTGDR2AKR1C3KMT2AALDH1A1HPGD
SCHEMBL7826821 0.84 UCHL1 (0.40) AKR1C3KMT2AALDH1A1HPGDMEN1
SCHEMBL7823983 0.84 LMNA (0.45) PTGDR2AKR1C3KMT2AALDH1A1HPGD
SCHEMBL7827030 0.84 UCHL1 (0.42) AKR1C3KMT2AALDH1A1HPGDMEN1
SCHEMBL7827496 0.83 MAPT (0.39) KMT2AALDH1A1HPGDMEN1LMNA

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
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed