SCHEMBL29116202

SCHEMBL29116202

CCC(C)(C)c1cc(C(C)c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2C(C)C(=O)O)c(O)c(C(C)(C)CC)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.35
PPARG P37231 5/20 0.35
RARG P13631 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL809525 0.85 CYP1A2 (0.41) RXRAPPARGRARGCYP1A2CYP3A4
Acrylic Acid SCHEMBL6447856 0.82 RXRA (0.39) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL13951874 0.81 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3625284 0.79 SIRT5 (0.35) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL31049995 0.78 CYP1A2 (0.34) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL29116200 0.78 CYP2C9 (0.34) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL557318 0.78 CYP1A2 (0.34) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL6396629 0.78 CYP2C9 (0.50) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL12424224 0.78 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL557319 0.77 RXRA (0.38) RXRAPPARGRARGCYP1A2CYP3A4

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-117203298-A Energy ray-crosslinkable adhesive composition, crosslinked adhesive, and adhesive sheet, and method for producing same 琳得科株式会社 2023-12-08 CN disclosed
CN-117157375-A Energy ray-crosslinkable adhesive composition, crosslinked adhesive, and adhesive sheet, and method for producing same 琳得科株式会社 2023-12-01 CN disclosed