SCHEMBL11203103

SCHEMBL11203103

Cc1cc(N[C@H](C(=O)O)C(C)C)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
FPR2 P25090 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
CSGALNACT1 Q8TDX6 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
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

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
SCHEMBL11203101 1.00 KDM4E (0.40) KDM4EFPR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL11203097 0.88 KMT2A (0.49) KDM4EFPR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL11058766 0.88 KMT2A (0.49) KDM4EFPR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL9971645 0.86
SCHEMBL8171255 0.86
SCHEMBL11203444 0.85 POLB (0.47) KDM4EFPR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL11203447 0.85 POLB (0.47) KDM4EFPR2ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4742101 0.85
Hydrochloric Acid SCHEMBL4801858 0.85
Hydrochloric Acid SCHEMBL4742108 0.85

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