SCHEMBL8433322

SCHEMBL8433322

CCOc1c(CC(=O)OCCO)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.43
PPARG P37231 10/20 0.43
RARG P13631 5/20 0.43
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VCAM1 P19320 2/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32
POLB P06746 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
SCHEMBL8433459 0.89 MAPT (0.38) RXRAPPARGRARGMAPTLMNA
SCHEMBL7933544 0.88 RXRA (0.42) RXRAPPARGRARGVCAM1ELANE
SCHEMBL8430359 0.88 HSPA5 (0.36) RXRAPPARGRARGSMN1; SMN2VCAM1
SCHEMBL8434295 0.87 RXRA (0.37) RXRAPPARGRARGVCAM1ELANE
SCHEMBL8430391 0.82 THRB (0.39) RXRAPPARGRARGMAPTLMNA
SCHEMBL7786586 0.81 RXRA (0.51) RXRAPPARGRARGSMN1; SMN2RARA
SCHEMBL8432825 0.81 NLRP3 (0.40) MAPTLMNASMN1; SMN2POLB
SCHEMBL7943266 0.80 RXRA (0.50) RXRAPPARGRARGMAPTRARA
SCHEMBL8433317 0.78 PTGS2 (0.37) RXRAMAPTLMNASMN1; SMN2RXRB
SCHEMBL19899245 0.77 MAPT (0.38) RXRAPPARGRARGMAPTLMNA

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-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed