SCHEMBL7471669

SCHEMBL7471669

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.44
CNR2 P34972 2/20 0.43
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SLC9A1 P19634 1/20 0.38
NFKB1 P19838 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX7 Q99572 1/20 0.37
KCNN4 O15554 1/20 0.37
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
MAOB P27338 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOA P21397 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL7682991 0.86 ACP3 (0.47) ACP3CNR2LMNAGAANFKB1
SCHEMBL8917002 0.82 ALDH1A1 (0.44) ACP3CNR2LMNAGAAPOLB
SCHEMBL4778256 0.81 ACP3 (0.45) ACP3CNR2LMNAGAASMN1; SMN2
SCHEMBL29129004 0.80 ACP3 (0.47) ACP3CNR2LMNAGAANFKB1
SCHEMBL1061610 0.80 ACP3 (0.47) ACP3CNR2LMNAGAASLC9A1
SCHEMBL7471346 0.80 DPP4 (0.42) PPARGP2RX7KCNN4HSD11B1
Hydrochloric Acid SCHEMBL6559016 0.79 ACP3 (0.44) ACP3CNR2LMNAGAAPOLB
SCHEMBL8912757 0.79 ACP3 (0.46) ACP3CNR2LMNAGAASLC9A1
SCHEMBL7472384 0.79 ACP3 (0.46) ACP3CNR2LMNAGAASLC9A1
SCHEMBL7979002 0.79 ACP3 (0.46) ACP3CNR2LMNAGAASLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed