SCHEMBL8114342

SCHEMBL8114342

CCc1ccccc1C(=O)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.38
FOLH1 Q04609 1/20 0.38
KMT2A Q03164 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10607543 0.85 ALDH1A1 (0.43) ALDH1A1FOLH1KMT2AMEN1
SCHEMBL10276952 0.84 CLCN2 (0.43) CLCN2ALDH1A1POLBPGRADRA2A
Lithium Ion SCHEMBL8120160 0.82 CLCN2 (0.37) CLCN2ALDH1A1POLBPGRADRA2A
Potassium Ion SCHEMBL8104534 0.82 CLCN2 (0.37) CLCN2ALDH1A1POLBPGRADRA2A
SCHEMBL822012 0.82 CYP2C19 (0.39) ALDH1A1KCNH2HTTTSHRFOLH1
SCHEMBL10594807 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL3494517 0.77 CLCN2 (0.40) CLCN2ALDH1A1POLBHTTFOLH1
SCHEMBL819137 0.77 HPGD (0.47) ALDH1A1HTTTSHRKMT2ASRC
SCHEMBL3364147 0.77 CLCN2 (0.41) CLCN2ALDH1A1HTTTSHRFOLH1
SCHEMBL29532527 0.76 CLCN2 (0.41) CLCN2ALDH1A1POLBHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6126855-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 2000-10-03 US disclosed
US-5833877-A DIAGMAGNETIC COMPLEX; SUPERCONDUCTORS ELLIOTT STANLEY B (US) 1998-11-10 US disclosed
US-5595683-A COMPLEX OF METAL SALT OF BENZOYLPROPIONIC ACID, LATTICE MODIFIER, CYCLIZATION, HUMIDITY SENSORS ELLIOTT STANLEY B (US) 1997-01-21 US disclosed
US-5443753-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 1995-08-22 US disclosed
US-5354499-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 1994-10-11 US disclosed
US-5354496-A Lyotropic liquid crystal salt/inorganic compound complexation products ELLIOTT STANLEY B (US) 1994-10-11 US disclosed
US-5082588-A Hygrometers ELLIOTT STANLEY B (US) 1992-01-21 US disclosed
US-4975249-A Optical and capacitance type, phase transition, humidity-responsive devices ELLIOTT STANLEY B (US) 1990-12-04 US disclosed