SCHEMBL19790097

SCHEMBL19790097

CCCCC(CC)COC(=O)c1cc(C)c(O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.62
ALDH1A1 P00352 5/20 0.62
TSHR P16473 3/20 0.62
MAPK1 P28482 3/20 0.62
CYP3A4 P08684 3/20 0.59
LMNA P02545 3/20 0.59
HSD17B10 Q99714 1/20 0.59
CA2 P00918 1/20 0.58
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
SERPINE1 P05121 1/20 0.43

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
SCHEMBL10942071 0.91 ALDH1A1 (0.53) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL6578078 0.88 ALDH1A1 (0.72) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL1926638 0.87 ALDH1A1 (0.64) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL27255797 0.86 ALDH1A1 (0.65) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL27255791 0.86 ALDH1A1 (0.65) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL7995097 0.86 ALDH1A1 (0.65) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL812195 0.84 ALDH1A1 (0.83) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL6575565 0.83 ALDH1A1 (0.65) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL27359831 0.83 ALDH1A1 (0.65) ESR1ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL12201039 0.83 ALDH1A1 (0.58) ESR1ALDH1A1TSHRMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374267-A1 LIGHT STABILIZER MASTERBATCH AND PRODUCTION METHOD FOR POLYPROPYLENE-BASED RESIN COMPOSITION USING SAME ADEKA CORPORATION (JP) 2023-11-23 US disclosed
EP-4227359-A1 POLYOLEFIN RESIN COMPOSITION, MOLDED ARTICLE USING SAME, AND METHOD FOR PRODUCING POLYOLEFIN RESIN COMPOSITION ADEKA CORPORATION (JP) 2023-08-16 EP disclosed
US-20180105653-A1 RESIN ADDITIVE MASTER BATCH ADEKA CORPORATION (JP) 2018-04-19 US disclosed
EP-3272804-A1 RESIN ADDITIVE MASTER BATCH Adeka Corporation (JP) 2018-01-24 EP disclosed