SCHEMBL29034610

SCHEMBL29034610

CC(C)(C)[Si](C)(C)Oc1c(C(=O)OCc2ccccc2)c(O)cc(O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.38
KMT2A Q03164 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TACR1 P25103 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL29034603 0.84 PDE4B (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29034606 0.77 TDP1 (0.44) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18736532 0.73 TDP1 (0.45) TDP1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29034609 0.72 TDP1 (0.46) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18736367 0.71 RAB9A (0.46) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6168202 0.70 TDP1 (0.55) TDP1NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL30658879 0.70 RAB9A (0.46) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18736368 0.70 RAB9A (0.46) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6652205 0.70 TDP1 (0.47) TDP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9741945 0.70 TDP1 (0.62) TDP1NPC1RAB9AALDH1A1L3MBTL1

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-108472381-B Compounds and therapeutic uses thereof 森陶里治疗有限公司 2023-06-06 CN disclosed