SCHEMBL9515508

SCHEMBL9515508

CC(=O)OC(OC(C)=O)c1ccc(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.48
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ACACB O00763 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 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
SCHEMBL28569670 0.79 POLB (0.38) ALDH1A1L3MBTL1LMNASMN1; SMN2NCEH1
SCHEMBL5496500 0.77 APLNR (0.54) APLNRDGAT1ALDH1A1L3MBTL1NPC1
SCHEMBL19914018 0.76 DGAT1 (0.44) APLNRDGAT1ALDH1A1L3MBTL1NPC1
SCHEMBL27860279 0.75 APLNR (0.38) APLNRDGAT1ALDH1A1L3MBTL1NPC1
SCHEMBL27918522 0.75 MEN1 (0.50) ALDH1A1LMNAGAAKMT2A
SCHEMBL14720320 0.75 APLNR (0.41) APLNRDGAT1ALDH1A1L3MBTL1ACACB
SCHEMBL12619427 0.75 ALDH1A1 (0.43) ALDH1A1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL1725428 0.75 DGAT1 (0.43) APLNRDGAT1ALDH1A1L3MBTL1NPC1
SCHEMBL28977260 0.74 APLNR (0.49) APLNRDGAT1ALDH1A1L3MBTL1NPC1
SCHEMBL28977258 0.74 APLNR (0.49) APLNRDGAT1ALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed