SCHEMBL21241067

SCHEMBL21241067

COCC(=O)CCCOc1ccc(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.36
PDE10A Q9Y233 1/20 0.35
RAB9A P51151 2/20 0.35
HCRTR2 O43614 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.33
HDAC1 Q13547 1/20 0.33
NNMT P40261 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL21241202 0.79 ALDH1A1 (0.43) ALDH1A1TSHRMAPTRAB9AHCRTR2
SCHEMBL82719 0.76 PDE10A (0.46) KDM4EALDH1A1HSD17B10TSHRPDE10A
SCHEMBL25063728 0.75 KDM4E (0.43) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL11929545 0.74 KDM4E (0.42) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL19599653 0.73 KDM4E (0.43) KDM4EALDH1A1HSD17B10MAPTPDE10A
SCHEMBL10265614 0.73 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10TSHRMAPT
SCHEMBL20381746 0.72 MAPT (0.44) KDM4EALDH1A1HSD17B10MAPTRAB9A
SCHEMBL832761 0.72 KDM4E (0.44) KDM4EALDH1A1HSD17B10MAPTPDE10A
SCHEMBL15489125 0.72 APP (0.43) KDM4EALDH1A1HSD17B10MAPTRAB9A
SCHEMBL11929549 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10TSHRMAPT

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
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed