SCHEMBL9040914

SCHEMBL9040914

CC(=O)c1ccccc1C(C)CO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
KAT2B Q92831 1/20 0.42
LMNA P02545 3/20 0.40
ACE2 Q9BYF1 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
TRPA1 O75762 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL6858554 0.86 TSHR (0.44) ALDH1A1TSHRACE2SMN1; SMN2MAPT
SCHEMBL14216632 0.85 TSHR (0.57) ALDH1A1TSHRLMNASMN1; SMN2KDM4E
SCHEMBL5230221 0.85 ACE2 (0.50) ALDH1A1TSHRACE2SMN1; SMN2KDM4E
SCHEMBL20555850 0.85 ACE2 (0.50) ALDH1A1TSHRACE2SMN1; SMN2KDM4E
SCHEMBL3380036 0.83 IRAK4 (0.47) ALDH1A1TSHRLMNAACE2KDM4E
SCHEMBL23590684 0.82 TRPV3 (0.43) ALDH1A1TSHRKAT2BLMNAACE2
Acetic Acid SCHEMBL8193458 0.82 BCAT2 (0.44) ALDH1A1TSHRLMNAACE2KDM4E
SCHEMBL1635308 0.81 GABRA1 (0.50) ALDH1A1TSHRLMNASMN1; SMN2KDM4E
SCHEMBL29567244 0.81 GABRA1 (0.50) ALDH1A1TSHRLMNASMN1; SMN2KDM4E
SCHEMBL24135803 0.81 LMNA (0.40) ALDH1A1TSHRKAT2BLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445731-B1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER LAMBERT CO (US) 1996-01-10 EP disclosed
US-5482938-A Azabicyclo and azacyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1996-01-09 US disclosed
US-5346911-A Analgesics, cognition activators, treatment of alzheimer*s s disease WARNER-LAMBERT COMPANY (US) 1994-09-13 US disclosed
US-5306718-A Analgesics, cognition activators WARNER-LAMBERT COMPANY (US) 1994-04-26 US disclosed
EP-0445731-A1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER-LAMBERT COMPANY (US) 1991-09-11 EP disclosed