SCHEMBL7367341

SCHEMBL7367341

COC(=O)c1cccc(Oc2ncccc2C(=O)OCc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPK8 P45983 1/20 0.50
PPIA P62937 1/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL7402414 0.86 L3MBTL1 (0.60) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL7364675 0.84 TDP1 (0.65) TDP1ALDH1A1MAPTHTTL3MBTL1
SCHEMBL7311036 0.81 TDP1 (0.60) TDP1ALDH1A1HTTL3MBTL1RAB9A
SCHEMBL3174045 0.78 TDP1 (0.67) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL20818012 0.77 TDP1 (1.00) TDP1ALDH1A1MAPTHTTRAB9A
SCHEMBL6136716 0.77 PPIA (0.61) ALDH1A1SMN1; SMN2MAPTL3MBTL1RAB9A
SCHEMBL7367524 0.77 ALDH1A1 (0.59) TDP1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL30412034 0.76 MAOB (0.73) HPGD
SCHEMBL976424 0.76 MAOB (0.73) HPGD
SCHEMBL7313604 0.76 MAPK8 (0.67) ALDH1A1MAPTPOLBMAPK8HPGD

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