SCHEMBL11203247

SCHEMBL11203247

CC(C)[C@H](Nc1c(F)c(F)c(F)c(F)c1F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL11203244 1.00 MAPK1 (0.38) MAPK1MMP1MMP2MMP3MMP7
SCHEMBL29382348 0.85 MAPT (0.38) MAPK1MMP1MMP2MMP3MMP7
SCHEMBL29381571 0.85 MAPT (0.38) MAPK1MMP1MMP2MMP3MMP7
SCHEMBL10341869 0.79 TAS1R3 (0.38) MAPK1MMP1MMP2MMP3MMP7
SCHEMBL4316481 0.78 SMN1; SMN2 (0.36) ALDH1A1CA2CA1LMNAGAA
SCHEMBL4316479 0.78 SMN1; SMN2 (0.36) ALDH1A1CA2CA1LMNAGAA
SCHEMBL11195542 0.77 KMT2A (0.42) MAPK1MMP1MMP2MMP3MMP7
SCHEMBL11195538 0.77 KMT2A (0.42) MAPK1MMP1MMP2MMP3MMP7
SCHEMBL11471662 0.77 MMP1 (0.41) MAPK1MMP1MMP2MMP3MMP7
SCHEMBL11196349 0.74 MMP2 (0.39) MAPK1MMP1MMP2MMP3MMP7

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-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed