SCHEMBL7403292

SCHEMBL7403292

CC(C)(O)c1ccc(CCC(=O)c2cccnc2Oc2cccnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
MAPK8 P45983 1/20 0.39
RAB9A P51151 2/20 0.39
GALR3 O60755 1/20 0.39
MAPK1 P28482 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
NPC1 O15118 1/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL7368640 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MAPK8
SCHEMBL7402170 0.85 KMT2A (0.48) ALDH1A1MAPK8
SCHEMBL7365200 0.82 MAPK8 (0.62) ALDH1A1MAPTMAPK8RAB9AMAPK1
SCHEMBL7369302 0.76 L3MBTL1 (0.47) ALDH1A1MAPTRAB9AGALR3MAPK1
SCHEMBL7367839 0.76 NAPRT (0.44) HCRTR1HCRTR2
SCHEMBL7372342 0.75 PDE10A (0.48) ALDH1A1
SCHEMBL7677512 0.74 KMT2A (0.53) ALDH1A1MAPK8RAB9A
SCHEMBL3732870 0.73 PPARA (0.49)
SCHEMBL5218853 0.73 ALDH1A1 (0.54) ALDH1A1TDP1MAPTMAPK8RAB9A
SCHEMBL7694995 0.73 TDP1 (0.55) ALDH1A1TDP1MAPTMAPK8RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed