SCHEMBL30049255

SCHEMBL30049255

C=C(C)C(=O)Oc1c(C(C)c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2O)cc(C(C)(C)CC)cc1C(C)(C)CC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.37
PPARG P37231 5/20 0.37
RARG P13631 4/20 0.37
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL499773 1.00 RXRA (0.37) RXRAPPARGRARGRARARARB
SCHEMBL31063637 0.89 RXRA (0.39) RXRAPPARGRARGRARARARB
SCHEMBL13006767 0.85 RXRA (0.36) RXRAPPARGRARGRARARARB
SCHEMBL237192 0.84 RXRA (0.37) RXRAPPARGRARGRARARARB
SCHEMBL29353638 0.84 RXRA (0.37) RXRAPPARGRARGRARARARB
SCHEMBL29464292 0.84 RXRA (0.37) RXRAPPARGRARGRARARARB
SCHEMBL824529 0.83 RXRA (0.35) RXRAPPARGRARGRARARARB
SCHEMBL26602748 0.83 RXRA (0.35) RXRAPPARGRARGRARARARB
SCHEMBL499911 0.81 CYP3A4 (0.40) RXRAPPARGRARGALDH1A1CYP1A2
SCHEMBL30050586 0.81 CYP3A4 (0.40) RXRAPPARGRARGALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127194-B Silicone rubber composition, crosslinked silicone rubber, and sealing material 住友理工株式会社 2023-02-28 CN disclosed
CN-115353728-A Modified PC and TPU composite material and preparation method and application thereof 四川龙华光电薄膜股份有限公司 2022-11-18 CN disclosed
CN-115304903-A TPU modified resin and application 四川龙华光电薄膜股份有限公司 2022-11-08 CN disclosed