SCHEMBL8073265

SCHEMBL8073265

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1ccc(C(F)(F)F)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.42
MAPT P10636 6/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.40
TP53 P04637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
POLB P06746 1/20 0.38
TACR3 P29371 1/20 0.38

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
SCHEMBL8068909 0.89 AKR1C3 (0.46) CYP19A1AKR1C3AKR1C2MAPTELANE
SCHEMBL8073356 0.83 AKR1C3 (0.47) CYP19A1AKR1C3AKR1C2MAPTKDM4E
SCHEMBL8058108 0.83 CYP19A1 (0.43) CYP19A1MAPTKDM4EMEN1ALDH1A1
SCHEMBL7824961 0.74 CYP19A1 (0.46) CYP19A1AKR1C3MAPTALDH1A1LMNA
SCHEMBL7826196 0.73 SLC5A1 (0.43) CYP19A1MAPTKDM4EMEN1ALDH1A1
SCHEMBL7815445 0.72 SLC5A1 (0.50) CYP19A1MAPTKDM4EMEN1ALDH1A1
SCHEMBL7831857 0.71 SLC5A1 (0.43) CYP19A1MAPTKDM4EMEN1ALDH1A1
SCHEMBL7824962 0.71 AKR1C3 (0.51) CYP19A1AKR1C3MAPTMEN1ALDH1A1
SCHEMBL8071414 0.71 MAPT (0.42) CYP19A1AKR1C3MAPTKDM4EMEN1
SCHEMBL8057450 0.71 ALDH1A1 (0.42) AKR1C3AKR1C2MAPTKDM4EMEN1

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