SCHEMBL28630095

SCHEMBL28630095

CCC(C)(CC)Oc1ccccc1-c1ccnnn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.32
MAPT P10636 2/20 0.32
CNR2 P34972 1/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28394137 0.87 TSHR (0.38) L3MBTL1MAPTCNR2RAB9ASMN1; SMN2
SCHEMBL1372006 0.79 CNR1 (0.35) CNR2
SCHEMBL12489287 0.79 PDE5A (0.43) MAPTHPGDALDH1A1NPC1
SCHEMBL148972 0.77 RAB9A (0.48) L3MBTL1MAPTCNR2RAB9ASMN1; SMN2
SCHEMBL30702995 0.77 RAB9A (0.48) L3MBTL1MAPTCNR2RAB9ASMN1; SMN2
SCHEMBL3793513 0.76 PDE5A (0.37) MAPTCNR2
SCHEMBL28590842 0.76 CYP1A2 (0.39) CNR2
SCHEMBL28973517 0.75 ALDH1A1 (0.39) CNR2RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3737683 0.73 PDE5A (0.35) CNR2
SCHEMBL16731967 0.72 ALDH1A1 (0.32) L3MBTL1RAB9ASMN1; SMN2HPGDALDH1A1

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-112724757-A Ionomer coating for eliminating surface charge, preparation method thereof and corresponding coating 徐宁 2021-04-30 CN disclosed