SCHEMBL7684134

SCHEMBL7684134

CCc1cc(N)ccc1C(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.42
ACHE P22303 2/20 0.41
ACE2 Q9BYF1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
BACE1 P56817 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PGR P06401 1/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
GFER P55789 1/20 0.33
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CASP1 P29466 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL21962181 0.85 ACE2 (0.43) PRKCIACHEACE2ALDH1A1EPHX2
SCHEMBL30279132 0.84 PRKCI (0.40) PRKCIACHEALDH1A1KDM4EGABRA1
SCHEMBL25041795 0.84 PRKCI (0.40) PRKCIACHEALDH1A1KDM4EGABRA1
SCHEMBL9211984 0.78 ALDH1A1 (0.41) ACE2ALDH1A1GABRA1GABRB2MAPT
SCHEMBL3820235 0.78 GAA (0.50) PRKCIACHEALDH1A1KDM4EGAA
SCHEMBL30789314 0.78 GAA (0.50) PRKCIACHEALDH1A1KDM4EGAA
SCHEMBL2814705 0.77 ALDH1A1 (0.36) PRKCIACHEALDH1A1KDM4EGAA
SCHEMBL7369795 0.74 ALDH1A1 (0.50) ACHEALDH1A1KDM4EPGRGAA
SCHEMBL18802756 0.73 GABRA1 (0.36) ACE2GABRA1GABRB2ESR1ESR2
SCHEMBL18156891 0.72 KIF11 (0.44) ALDH1A1PGRGAAMAPTGFER

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 1 patent. 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