SCHEMBL28069971

SCHEMBL28069971

CC(=O)CC(=O)Oc1ccon1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
P2RX3 P56373 1/20 0.31
GAPDH P04406 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL27438024 0.82 KMT2A (0.41) GAAKDM4EATMRAB9ANPC1
SCHEMBL9093356 0.81
SCHEMBL28178444 0.81 LMNA (0.39) GAAKDM4ERAB9APOLBL3MBTL1
SCHEMBL28206765 0.75 ALDH1A1 (0.38) GAAKDM4EATMRAB9APOLB
SCHEMBL7563047 0.74
SCHEMBL8431048 0.72
SCHEMBL11346091 0.72
SCHEMBL28084978 0.71 P2RX3 (0.33) GAAKDM4EATMRAB9ACHRM2
SCHEMBL2897885 0.71 CCNE1 (0.37) GAAKDM4EATMRAB9ANPC1
SCHEMBL38661115 0.69 TSHR (0.45) MGAMGAASIMGAM2KDM4E

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
CN-205368191-U N - isopropyl azanol production system 济宁康德瑞化工科技有限公司 2016-07-06 CN disclosed