SCHEMBL7682991

SCHEMBL7682991

CC(=O)C(C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
CNR2 P34972 2/20 0.47
PPARG P37231 2/20 0.43
POLQ O75417 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
SRC P12931 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CRHR1 P34998 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL28821897 0.89 ACP3 (0.53) ACP3CNR2PPARGPOLQAKR1C3
SCHEMBL6685785 0.87 ACP3 (0.45) ACP3CNR2PPARGPOLQAKR1C3
SCHEMBL7471669 0.86 ACP3 (0.44) ACP3CNR2PPARGCACNA2D1CACNA1B
SCHEMBL8917002 0.82 ALDH1A1 (0.44) ACP3CNR2PPARGCACNA1CLMNA
SCHEMBL29129004 0.80 ACP3 (0.47) ACP3CNR2CACNA2D1CACNA1BCACNB1
SCHEMBL16371385 0.79 CNR2 (0.50) ACP3CNR2POLQAKR1C3AKR1C2
SCHEMBL7680267 0.79 DPP4 (0.41) PPARGPOLQAKR1C3AKR1C2
SCHEMBL194437 0.79 AKR1C3 (0.52) ACP3CNR2PPARGPOLQAKR1C3
SCHEMBL30428161 0.79 AKR1C3 (0.52) ACP3CNR2PPARGPOLQAKR1C3
SCHEMBL3130946 0.78 ACP3 (0.53) ACP3CNR2PPARGPOLQAKR1C3

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed