SCHEMBL7330899

SCHEMBL7330899

COC(=O)c1cc(F)c(NC(=O)C(C)C)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL26606605 0.77 KDM4E (0.53) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL1096952 0.74 KDM4E (0.59) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL21711920 0.73 KDM4E (0.46) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL12780361 0.73 KMT2A (0.50) ALDH1A1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL198937 0.72 KDM4E (0.69) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL522695 0.72 KDM4E (0.57) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL18306466 0.72 HDAC1 (0.59) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL4730659 0.72 HSD17B10 (0.63) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL18172323 0.71 KDM4E (0.57) KDM4EALDH1A1LMNAPOLBL3MBTL1
SCHEMBL5177009 0.71 ALDH1A1 (0.61) KDM4EALDH1A1LMNAPOLBHSD17B10

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
EP-0475531-B1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same ASAHI CHEMICAL IND (JP) 1995-01-18 EP disclosed
EP-0475531-A1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-18 EP disclosed