SCHEMBL16319178

SCHEMBL16319178

COc1ccc(F)c(-c2ccc(O)cc2C2=CC(C)(C)OC(C)(C)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TNIK Q9UKE5 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
ALOX12 P18054 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BACE1 P56817 3/20 0.33
CTSD P07339 2/20 0.33
CACNA1B Q00975 1/20 0.33
ESR1 P03372 2/20 0.33
PTPN1 P18031 1/20 0.33
APP P05067 2/20 0.33
SNCA P37840 1/20 0.33
MAOB P27338 1/20 0.32

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
SCHEMBL16319227 0.74 FFAR1 (0.40) FFAR1
SCHEMBL16319135 0.73 MAPK14 (0.35) FFAR1MEN1MAPTKMT2AALDH1A1
SCHEMBL16318931 0.72 NPC1 (0.45) MEN1MAPTKMT2AALDH1A1TNIK
SCHEMBL16319110 0.68 FFAR1 (0.41) FFAR1
SCHEMBL16319225 0.67 FFAR1 (0.39) FFAR1TNIKESR1
SCHEMBL2498880 0.66 CA1 (0.37) FFAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL12221743 0.66 FFAR1 (0.39) FFAR1
SCHEMBL2498403 0.65 FFAR1 (0.37) FFAR1
SCHEMBL16319275 0.65 PIK3CD (0.43) FFAR1MAPTKMT2AALDH1A1TNIK
SCHEMBL16318965 0.65 PTPN1 (0.41) FFAR1MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed