SCHEMBL3408095

SCHEMBL3408095

Cc1ccccc1OC(=O)OCC[Si](C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1598666 0.82 ALDH1A1 (0.49) TDP1ATML3MBTL1MEN1KMT2A
SCHEMBL16732035 0.81 TSHR (0.50) TDP1ATML3MBTL1KMT2AELANE
SCHEMBL1598707 0.80 TDP1 (0.51) TDP1ATML3MBTL1SMN1; SMN2NPC1
SCHEMBL727949 0.79 ELANE (0.59) TDP1ATML3MBTL1ELANECYP3A4
SCHEMBL26565550 0.79 MTNR1A (0.44) ATML3MBTL1MEN1KMT2A
SCHEMBL4632631 0.79 RAB9A (0.49) TDP1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9647917 0.78 CHRM1 (0.49) TDP1ATML3MBTL1SMN1; SMN2RAB9A
SCHEMBL16732380 0.78 TDP1 (0.48) TDP1ATML3MBTL1ELANESMN1; SMN2
SCHEMBL2021749 0.78 HCAR2 (0.46) TDP1ATML3MBTL1SMN1; SMN2NPC1
SCHEMBL1834386 0.78 ELANE (0.55) TDP1L3MBTL1MEN1KMT2AELANE

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
WO-2010051044-A1 UNIQUE DUAL-ACTION THERAPEUTICS UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2010-05-06 WO claimed