SCHEMBL7933779

SCHEMBL7933779

CCCCCC(C)(C)c1cc(C(=O)OCCO)cc(C)c1OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.47
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39

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
SCHEMBL7941344 0.90 ESR1 (0.40) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7944998 0.89 ESR1 (0.40) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7942531 0.87 ESR1 (0.42) ESR1
SCHEMBL7944750 0.86 ESR1 (0.59) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7933777 0.86 ESR1 (0.41) ESR1
SCHEMBL7792421 0.83 PLA2G2A (0.40) ESR1CNR1CNR2
SCHEMBL7942462 0.83 ESR1 (0.41) ESR1
SCHEMBL7933770 0.81 CNR2 (0.39) CNR1CNR2
SCHEMBL7943054 0.81 CNR2 (0.48) ESR1CNR1CNR2
SCHEMBL7933568 0.80 ESR1 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed