SCHEMBL7944813

SCHEMBL7944813

Cc1cc(C(=O)OCCCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.58
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
SERPINE1 P05121 3/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
VCAM1 P19320 1/20 0.40

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
SCHEMBL7943202 0.96 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7943232 0.92 ESR1 (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7943065 0.90 ESR1 (0.54) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11405558 0.88 ESR1 (0.77) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7940101 0.87 SERPINE1 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7940121 0.85 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29030253 0.85 SERPINE1 (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL30924509 0.85 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9246950 0.84 ESR1 (0.58) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7944838 0.83 ESR1 (0.46) ESR1SERPINE1CYP2C9CYP2C19

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