SCHEMBL28660752

SCHEMBL28660752

C=C(C)c1ccc(C(=C)C)cc1.[LiH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GRIK2 Q13002 2/20 0.33
KMT2A Q03164 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32

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
SCHEMBL7596929 1.00 MAPT (0.38) MAPTHTTGFERHSD17B10GPR55
SCHEMBL56361 0.96 MAPT (0.40) MAPTHTTGFERHSD17B10GPR55
SCHEMBL94501 0.87 ALDH1A1 (0.52) MAPTHTTALDH1A1LMNACES2
SCHEMBL9516265 0.87 MAPT (0.44) MAPTHTTGFERHSD17B10GPR55
SCHEMBL5546082 0.87 MAPT (0.35) MAPTHTTGFERHSD17B10GPR55
SCHEMBL135213 0.84 MAPT (0.60) MAPTHTTGFERHSD17B10GPR55
SCHEMBL6467824 0.84 CES2 (0.46) MAPTALDH1A1LMNACES2CES1
SCHEMBL11227941 0.84 CES2 (0.46) MAPTALDH1A1LMNACES2CES1
SCHEMBL6391506 0.84 CES2 (0.46) MAPTALDH1A1LMNACES2CES1
SCHEMBL4658909 0.84 CES2 (0.46) MAPTALDH1A1LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113811452-A Pneumatic tire 住友橡胶工业株式会社 2021-12-17 CN disclosed
CN-113329889-A Tread rubber composition and pneumatic tire 住友橡胶工业株式会社 2021-08-31 CN disclosed