SCHEMBL1543801

SCHEMBL1543801

NC(=O)C(CCCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.50
AKR1C2 P52895 5/20 0.50
PTGS1 P23219 4/20 0.50
PTGS2 P35354 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
FABP2 P12104 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C4 P17516 1/20 0.50
ADRA2B P18089 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2C P28335 1/20 0.50
DRD3 P35462 1/20 0.50
AKR1C1 Q04828 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL7561040 0.80 AKR1C3 (0.56) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL10760724 0.78 AKR1C3 (0.63) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL2234149 0.78 AKR1C3 (0.59) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL16114493 0.74 PTGS2 (0.58) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL2172079 0.74 LTA4H (0.45) LMNAHTR2CDRD3FFAR1
SCHEMBL5319051 0.73 LMNA (0.78) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL2357848 0.73 LMNA (0.78) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL2171199 0.73 EPHX1 (0.49) LMNAFFAR1
SCHEMBL9555722 0.73 AKR1C3 (0.63) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL8232068 0.72 LMNA (0.67) AKR1C3AKR1C2PTGS1PTGS2MEN1

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
EP-2307335-A1 PROCESS FOR THE MANUFACTURE OF RACEMIC 2-ARYL-PROPIONIC ACID Aesica Pharmaceuticals Ltd. (GB) 2011-04-13 EP disclosed