SCHEMBL8630108

SCHEMBL8630108

C=CCON=C(C)C.c1ccc2c(c1)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 3/20 0.35
TSHR P16473 3/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD4 P21917 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL11037871 0.80
SCHEMBL29080240 0.69 AHR (0.38) SMN1; SMN2TSHRMAPK1ALDH1A1MEN1
SCHEMBL28701754 0.68 AOC3 (0.44) MAPTSMN1; SMN2MAPK1ALDH1A1MEN1
SCHEMBL18193576 0.67 ATM (0.52) LMNAMAPTSMN1; SMN2MAPK1HTT
SCHEMBL18193568 0.67 ATM (0.52) LMNAMAPTSMN1; SMN2MAPK1HTT
Propene SCHEMBL28283836 0.66 AHR (0.42) TSHRMAPK1ALDH1A1
SCHEMBL14667505 0.66 IDO1 (0.52) NPC1RAB9AMEN1KMT2A
SCHEMBL27588437 0.65 TSHR (0.45) LMNATSHRMAPK1HTTALDH1A1
Propene SCHEMBL5137493 0.65 AHR (0.41) MAPTSMN1; SMN2
SCHEMBL13317656 0.65 DRD4 (0.51) MAPTSMN1; SMN2DRD4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739402-A Process for the preparation of mixtures of isomers of O-phenoxy-alkylhydroxylamines or O-phenoxyalkyloximes BASF AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed