SCHEMBL7645310

SCHEMBL7645310

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(O)O)c(OCCOc2c(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3OP(O)O)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.36
PPARG P37231 9/20 0.36
RARG P13631 4/20 0.36
TLR4 O00206 3/20 0.32
CD14 P08571 3/20 0.32
LY96 Q9Y6Y9 3/20 0.32
CYP2C19 P33261 2/20 0.31
HSPA5 P11021 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
CYP2C9 P11712 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
ELANE P08246 1/20 0.30
CD69 Q07108 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
SCHEMBL9278608 0.93 CYP2C19 (0.35) RXRAPPARGRARGCYP2C19HSPA5
SCHEMBL27567436 0.82 NR5A2 (0.37) RXRAPPARGRARGCYP2C19HSPA5
SCHEMBL4440718 0.81 CYP2C19 (0.33) RXRAPPARGRARGCYP2C19HSPA5
SCHEMBL9328498 0.81 ALDH1A1 (0.34) RXRAPPARGRARGCYP2C19HSPA5
SCHEMBL27585599 0.81 CYP2C19 (0.33) RXRAPPARGRARGCYP2C19CYP2C9
SCHEMBL5865457 0.79 GABRA1 (0.38) RXRAPPARGRARGCYP2C19CYP2C9
SCHEMBL28542242 0.75 POLB (0.36) RXRAPPARGRARGCYP2C19CYP2C9
SCHEMBL4018841 0.75 HSP90AA1 (0.38) RXRAPPARGRARGCYP2C19RARA
1,3-Propanediol SCHEMBL18529217 0.74 VCAM1 (0.35) RXRAPPARGRARGCYP2C19CYP2C9
SCHEMBL7107585 0.74 RXRA (0.34) RXRAPPARGRARGRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856526-B1 OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME CHISSO CORP (JP) 2002-08-28 EP disclosed
US-6313225-B2 High melt tension, high crystallization temperature; hollow moldings CHISSO CORPORATION (JP) 2001-11-06 US disclosed
US-20010004657-A1 OLEFIN(CO-) POLYMER COMPOSITIONS AND METHOD FOR PRODUCING THE SAME ANDCATALYST FOR OLEFIN (CO-) POLYMERIZATION AND METHOD FOR PRODUCING THE SAME CHISSO CORPORATION (JP) 2001-06-21 US disclosed
US-6156845-A Polyolefin composition and method of making CHISSO CORPORATION (JP) 2000-12-05 US disclosed
EP-0856526-A1 OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME CHISSO CORPORATION (JP) 1998-08-05 EP disclosed