SCHEMBL7933964

SCHEMBL7933964

CCCCCC(C)(C)c1cc(C(=O)OCCO)cc(CC)c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SERPINE1 P05121 1/20 0.38

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
SCHEMBL7933568 0.89 ESR1 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7944750 0.88 ESR1 (0.59) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7933960 0.86 ESR1 (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7942545 0.86 ESR1 (0.41) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7944998 0.86 ESR1 (0.40) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11409539 0.84 ESR1 (0.63) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7942431 0.83 HSPA5 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7933737 0.82 ESR1 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3809058 0.81 PLA2G2A (0.40) ESR1CNR2CNR1TSHR
SCHEMBL7941344 0.80 ESR1 (0.40) 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 3 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
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed