SCHEMBL3435294

SCHEMBL3435294

COc1ccc(Cl)cc1-c1cccc(S(=O)(=O)c2ccc(F)cc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 4/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
CNR1 P21554 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
TSHR P16473 3/20 0.43
NR3C1 P04150 2/20 0.43
PGR P06401 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
HTR6 P50406 1/20 0.43
NPC1 O15118 1/20 0.40

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
SCHEMBL1989561 0.80 NR3C1 (0.53) NR1I2MAPTLMNACNR1HTT
SCHEMBL1994155 0.79 PTGDR2 (0.51) NR1I2MAPTLMNACNR1HTT
SCHEMBL1991595 0.79 NR3C1 (0.47) NR1I2POLBTP53SMN1; SMN2PTGES2
SCHEMBL1992776 0.78 MAPT (0.49) NR1I2MAPTLMNACNR1HTT
SCHEMBL1996022 0.73 PTGDR2 (0.53) NR1I2MAPTLMNAHTTNPSR1
SCHEMBL22195968 0.72 ALDH1A1 (0.43) MAPTNPSR1SMN1; SMN2TSHRNR3C1
SCHEMBL3166640 0.72 HTR2A (0.55) HTR6
SCHEMBL3166634 0.72 HTR2A (0.55) HTR6
SCHEMBL1990403 0.71 PTGDR2 (0.43) POLBTSHRNR3C1PGRALDH1A1
SCHEMBL610509 0.69 CRHR1 (0.42) MAPTLMNANPSR1PTGES2ALDH1A1

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
EP-1937633-B8 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2010-12-22 EP disclosed
EP-1937633-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039741-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-04-12 WO disclosed