SCHEMBL7638822

SCHEMBL7638822

CCCCCCCCCCCCCCCCOC(=O)c1cc(C(C)(C)C)c(OC(c2c(C(C)(C)C)cc(C(=O)OCCCCCCCCCCCCCCCC)cc2C(C)(C)C)C(CO)(COP(O)O)COP(O)O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7638828 0.91 ESR1 (0.44) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10579295 0.90 ESR1 (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9356118 0.90 ESR1 (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1790604 0.80 HSPA5 (0.33)
SCHEMBL11025708 0.78 HSPA5 (0.33)
SCHEMBL337109 0.78 SMN1; SMN2 (0.32) ALDH1A1
SCHEMBL1074117 0.78 RXRA (0.31)
SCHEMBL4659187 0.77 CNR2 (0.38)
SCHEMBL7643709 0.76 ESR1 (0.53) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10607967 0.75 CNR2 (0.40)

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