SCHEMBL31006340

SCHEMBL31006340

CC(C)OCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAOB P27338 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL19370107 1.00 MAPT (0.55) MAPTRAB9ASMN1; SMN2MAOBL3MBTL1
SCHEMBL12530833 0.95 MAPT (0.61) MAPTRAB9ASMN1; SMN2MAOBL3MBTL1
SCHEMBL12459480 0.88 L3MBTL1 (0.58) MAPTRAB9ASMN1; SMN2MAOBL3MBTL1
SCHEMBL12452818 0.85 MAPT (0.50) MAPTRAB9ASMN1; SMN2MAOBL3MBTL1
SCHEMBL25040676 0.83 L3MBTL1 (0.53) MAPTRAB9ASMN1; SMN2MAOBL3MBTL1
SCHEMBL30274345 0.83 L3MBTL1 (0.53) MAPTRAB9ASMN1; SMN2MAOBL3MBTL1
SCHEMBL25144727 0.82 SMN1; SMN2 (0.46) MAPTSMN1; SMN2MAOBL3MBTL1HDAC7
SCHEMBL13256446 0.81 RAB9A (0.60) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL29908236 0.81 RAB9A (0.60) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL10337042 0.81 MAPT (0.64) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1

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-118382435-A 12/15-Lipoxygenase inhibitors 总医院公司 2024-07-23 CN disclosed