SCHEMBL30770835

SCHEMBL30770835

COC(=O)c1cc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
CASP3 P42574 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
RAB9A P51151 10/20 0.65
NPC1 O15118 9/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
FLT3 P36888 1/20 0.65
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.58
TP53 P04637 3/20 0.58
TSHR P16473 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 1/20 0.57
MAPK1 P28482 2/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL3529069 1.00 MAPT (0.69) MAPTCASP3SENP7TDP1RAB9A
SCHEMBL7347858 0.85 FLT3 (0.69) MAPTCASP3SENP7TDP1RAB9A
SCHEMBL29023280 0.84 FLT3 (0.67) MAPTCASP3SENP7TDP1RAB9A
SCHEMBL7637918 0.83 FLT3 (0.61) MAPTCASP3SENP7TDP1RAB9A
Methoxymethane SCHEMBL11265215 0.82 FLT3 (0.65) MAPTCASP3SENP7TDP1RAB9A
SCHEMBL27512421 0.82 FLT3 (0.65) MAPTCASP3SENP7TDP1RAB9A
SCHEMBL10468198 0.82 FLT3 (0.65) MAPTCASP3SENP7TDP1RAB9A
SCHEMBL2775850 0.81 MAPT (0.67) MAPTCASP3SENP7TDP1RAB9A
SCHEMBL19387376 0.81 ALDH1A1 (0.76) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL29926214 0.81 MAPT (0.60) MAPTCASP3SENP7TDP1RAB9A

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-117567281-A Method for synthesizing cycloheptatriene derivative by catalyzing DMAP 浙江理工大学 2024-02-20 CN disclosed