SCHEMBL9738182

SCHEMBL9738182

CC1=C(C(=O)Nc2ccccc2)OCCO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
MAPK1 P28482 1/20 0.64
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
PKM P14618 2/20 0.51
NFKB1 P19838 1/20 0.51
MAOB P27338 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HPGD P15428 3/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
NAPRT Q6XQN6 1/20 0.44
PTPN1 P18031 1/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL4257455 0.80 MAPK1 (0.68) HSD17B10MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL7019511 0.79 HSD17B10 (0.58) HSD17B10MAPK1RAB9ANPC1SMN1; SMN2
Carboxin SCHEMBL18392 0.78 MAPK1 (1.00) HSD17B10MAPK1RAB9ANPC1KMT2A
Carboxin SCHEMBL8819780 0.78 MAPK1 (1.00) HSD17B10MAPK1RAB9ANPC1KMT2A
SCHEMBL21874 0.76 MAPK1 (0.56) HSD17B10MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL11247570 0.75 HSD17B10 (0.55) HSD17B10MAPK1RAB9ANPC1SMN1; SMN2
Oxycarboxin SCHEMBL18897 0.74 RAB9A (0.56) HSD17B10MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL8803600 0.74 HSD17B10 (0.53) HSD17B10MAPK1RAB9ANPC1SMN1; SMN2
Oxycarboxin SCHEMBL28267507 0.74 RAB9A (0.56) HSD17B10MAPK1RAB9ANPC1SMN1; SMN2
Carboxin SCHEMBL20746329 0.74 MAPK1 (0.90) HSD17B10MAPK1RAB9ANPC1KMT2A

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
US-5131940-A 5,6-Dihydro-3-methyl-N-phenyl-1,4-dioxin-2-carboxamides UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-07-21 US disclosed
US-5070211-A WHEAT AND BARLEY CROPS UNIROYAL CHEMICAL COMPANY, INC. (US) 1991-12-03 US disclosed