SCHEMBL8993587

SCHEMBL8993587

CC(CC(C)(C)CC(=O)Cl)C(=O)Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6055135 0.82 MMP8 (0.36) TSHRALDH1A1TP53
SCHEMBL10882689 0.77 TSHR (0.35) TSHRALDH1A1TP53
SCHEMBL2390525 0.77 GRN (0.30)
SCHEMBL665258 0.75 TSHR (0.45) TSHRALDH1A1TP53
SCHEMBL667627 0.73 TSHR (0.35) TSHRALDH1A1TP53
SCHEMBL22069992 0.73
SCHEMBL1409381 0.71
SCHEMBL1067333 0.70 HTT (0.30)
SCHEMBL11324877 0.69
SCHEMBL13748355 0.68 MMP8 (0.34)

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
EP-0461767-B1 Polymeric peroxide, polymerization initiator and method for production of block copolymer NIPPON OILS & FATS CO LTD (JP) 1996-08-14 EP disclosed
US-5258465-A Protective coatings NIPPON OIL & FATS CO., LTD. (JP) 1993-11-02 US disclosed
EP-0461767-A2 Polymeric peroxide, polymerization initiator and method for production of block copolymer NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-12-18 EP disclosed
US-3940390-A Process for the production of 2,3,4,5,6,7-hexahydrocyclopenta-(3)-1,3-oxazine-2,4-dione compounds BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed