SCHEMBL29320449

SCHEMBL29320449

NCCCCOCCCCCCC(O)COCCC[Si](O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TLR2 O60603 8/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LPAR5 Q9H1C0 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
SCHEMBL29320469 0.92 HTT (0.37) HTTTLR2USP2CYP3A4CYP1A2
SCHEMBL29321211 0.81 ADRB2 (0.38) HTTTLR2USP2CYP1A2
SCHEMBL29320454 0.80 KDM4E (0.33) HTTUSP2CYP3A4CYP1A2CYP2C19
SCHEMBL24306538 0.80 ADRB2 (0.39) HTTTLR2USP2CYP3A4CYP1A2
SCHEMBL29320460 0.79 USP2 (0.33) HTTUSP2CYP3A4CYP1A2CYP2C19
SCHEMBL21788486 0.78 HTT (0.56) HTTUSP2CYP3A4CYP1A2CYP2C19
SCHEMBL9928009 0.78 HTT (0.40) HTTTLR2USP2LPAR5
SCHEMBL24547511 0.75 HTT (0.44) HTTTLR2USP2CYP3A4CYP1A2
SCHEMBL20873131 0.74 TLR2 (0.40) TLR2
SCHEMBL29320513 0.74 ADRB2 (0.36) HTTTLR2CYP1A2

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
US-20240228853-A1 TEXTILE TEMPERATURE REGULATING AGENTS DEVAN CHEMICALS NV (BE) 2024-07-11 US disclosed