SCHEMBL12811136

SCHEMBL12811136

Bc1ccc(CC(=O)O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.41
AKR1B1 P15121 1/20 0.39
TSHR P16473 1/20 0.39
SRC P12931 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
CYP1A2 P05177 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
PTGER4 P35408 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7899039 0.80 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL503325 0.80 TSHR (0.53) CXCL8AKR1B1TSHR
SCHEMBL29459931 0.80 TSHR (0.53) CXCL8AKR1B1TSHR
Bromide SCHEMBL8397120 0.78 TSHR (0.51) CXCL8TSHR
SCHEMBL1142805 0.78 CAMK2A (0.51) AKR1B1TSHRCAMK2A
SCHEMBL30523650 0.78 CAMK2A (0.51) AKR1B1TSHRCAMK2A
SCHEMBL2006540 0.77 AKR1B1 (0.43) CXCL8AKR1B1TSHRSRCCYP26A1
SCHEMBL5545008 0.77 SRC (0.59) SRCFFAR1FFAR4RXRARXRB
SCHEMBL2298577 0.77 AKR1B1 (0.43) CXCL8AKR1B1TSHRSRCCYP26A1
SCHEMBL348979 0.77 KEAP1 (0.50) CXCL8AKR1B1FFAR1FFAR4

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-2086643-B1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LTD (GB) 2011-03-23 EP disclosed