SCHEMBL11823331

SCHEMBL11823331

CC(O)(CC(=O)O)Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TBXA2R P21731 3/20 0.44
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA1A P35348 1/20 0.44
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL11827472 0.84 TBXA2R (0.44) TSHRTBXA2RHMGCRCHRM1ADRA1A
SCHEMBL11830423 0.81 MME (0.44) TBXA2RHMGCRCHRM1ADRA1ACYP2C19
SCHEMBL17590423 0.80 TBXA2R (0.54) MIFTSHRSLC6A4SLC6A2HTR2A
SCHEMBL11830642 0.79 CYP2C9 (0.46) HTR2ATBXA2RHMGCRCHRM1ADRA1A
SCHEMBL11279619 0.78 PTGES2 (0.53) TSHRSLC6A4SLC6A2HTR2AHRH1
SCHEMBL28100624 0.77 SLC6A4 (0.56) MIFTSHRSLC6A4SLC6A2HTR2A
SCHEMBL8480665 0.76 SLC13A5 (0.50) MIFTSHRTBXA2RFFAR1SLC13A5
SCHEMBL11830242 0.75 ALDH1A1 (0.43) TSHRSLC6A2TBXA2RHMGCRCHRM1
SCHEMBL11830040 0.74 CSNK2A1 (0.50) TBXA2RHMGCRCHRM1ADRA1ACYP2C19
SCHEMBL27666403 0.73 SLC6A4 (0.55) TSHRSLC6A4SLC6A2HTR2AHRH1

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed