SCHEMBL28626716

SCHEMBL28626716

C[Si](C)(Cl)CCCCOC(=O)C(Br)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CHRM1 P11229 5/20 0.40
CHRM3 P20309 5/20 0.40
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28626193 0.99 NPC1 (0.42) SMN1; SMN2NPC1RAB9ALMNACES2
SCHEMBL6334265 0.84 NPC1 (0.44) SMN1; SMN2NPC1RAB9ALMNACHRM1
SCHEMBL10680751 0.81 CES2 (0.47) SMN1; SMN2LMNACES2CES1CHRM1
SCHEMBL2417875 0.79 TSHR (0.53) SMN1; SMN2NPC1RAB9ALMNACES2
SCHEMBL2419442 0.76 LMNA (0.53) SMN1; SMN2NPC1RAB9ALMNACES2
SCHEMBL2418494 0.74 TSHR (0.51) SMN1; SMN2LMNACES2CES1CHRM1
SCHEMBL19086397 0.74 CES2 (0.53) SMN1; SMN2LMNACES2CES1CHRM1
SCHEMBL28485593 0.73 CES2 (0.42) SMN1; SMN2NPC1RAB9ALMNACES2
SCHEMBL13523009 0.72 MTNR1A (0.55) CES2CES1ALDH1A1L3MBTL1
SCHEMBL280401 0.72 MMP8 (0.56) SMN1; SMN2NPC1CES2CES1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111876757-B Preparation method of inorganic two-dimensional nano material based on plane patterning polymer brush 华南理工大学 2021-09-21 CN claimed
CN-111876757-A Preparation method of inorganic two-dimensional nano material based on plane patterning polymer brush 华南理工大学 2020-11-03 CN claimed
CN-111876757-B Preparation method of inorganic two-dimensional nano material based on plane patterning polymer brush 华南理工大学 2021-09-21 CN disclosed
CN-111876757-A Preparation method of inorganic two-dimensional nano material based on plane patterning polymer brush 华南理工大学 2020-11-03 CN disclosed