SCHEMBL7769320

SCHEMBL7769320

CC(C)(C)Oc1ccc(C([NH])=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.43
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
FABP2 P12104 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ACACB O00763 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL20076975 0.83 ELANE (0.60) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL322440 0.81 CA1 (0.59) PPARAPPARGFABP2SLC22A12KMT2A
SCHEMBL2031463 0.81 MAPT (0.61) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL5459665 0.79 TRPV1 (0.56) TRPV1MAPTKMT2AALDH1A1HSD17B10
SCHEMBL6667137 0.79 ELANE (0.44) ELANEPPARAPPARGMAPTMEN1
SCHEMBL25259867 0.79 ELANE (0.43) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL12164518 0.79 ELANE (0.46) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL7769325 0.79 PARP10 (0.61) KMT2AALDH1A1CA1CA2
SCHEMBL2154207 0.79 PPARA (0.46) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL22569386 0.79 SRD5A2 (0.61) ELANEPPARAPPARGFABP2SLC22A12

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-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed