SCHEMBL30744930

SCHEMBL30744930

CCCCCC(CC)CCC[Si](OCC)(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 4/20 0.36
TSHR P16473 3/20 0.36
CA2 P00918 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ATM Q13315 1/20 0.33
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL28221313 0.92 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL28236527 0.88 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL28987877 0.83 LMNA (0.36) OPRM1ALDH1A1LMNACYP3A4L3MBTL1
SCHEMBL12199856 0.82 LMNA (0.43) OPRM1LMNATSHR
SCHEMBL544596 0.82 LMNA (0.33) OPRM1LMNA
SCHEMBL9862605 0.81 LMNA (0.40) OPRM1LMNA
SCHEMBL5575534 0.79 OPRM1 (0.34) OPRM1LMNA
SCHEMBL30692473 0.79 OPRM1 (0.34) OPRM1LMNA
SCHEMBL447269 0.79 LMNA (0.39) OPRM1LMNATSHR
Hydrochloric Acid SCHEMBL31373200 0.79 DNM1 (0.40) LMNA

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-118660820-A Elastomeric compositions with improved properties 米其林集团总公司 2024-09-17 CN disclosed
CN-117460628-A Rubber composition based on a copolymer comprising ethylene units and diene units and a polyethylene 米其林集团总公司 2024-01-26 CN disclosed