SCHEMBL8068083

SCHEMBL8068083

CCOC(=O)c1c(C(=O)c2ccc(C(F)(F)F)cc2N)nnn1Cc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 2/20 0.48
POLB P06746 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
CFTR P13569 1/20 0.42
UCHL1 P09936 1/20 0.42
RECQL P46063 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAF1 P04049 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL8067025 0.93 AKR1C3 (0.48) AKR1C3AKR1C2POLBRXFP1MAPT
SCHEMBL7815561 0.88 POLB (0.46) POLBRXFP1MAPTALOX15L3MBTL1
SCHEMBL7827011 0.85 POLB (0.50) POLBRXFP1MAPTALOX15L3MBTL1
SCHEMBL7829087 0.85 POLB (0.48) AKR1C3POLBRXFP1MAPTALOX15
SCHEMBL8071742 0.84 MEN1 (0.47) AKR1C3POLBRXFP1MAPTALOX15
SCHEMBL7831227 0.83 POLB (0.46) POLBRXFP1MAPTALOX15L3MBTL1
SCHEMBL7828659 0.82 KDM4E (0.47) AKR1C3POLBRXFP1MAPTALOX15
SCHEMBL8073356 0.82 AKR1C3 (0.47) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL8073462 0.82 MKNK2 (0.46) AKR1C3AKR1C2POLBRXFP1MAPT
SCHEMBL7831300 0.81 SMN1; SMN2 (0.48) POLBRXFP1MAPTALOX15L3MBTL1

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