SCHEMBL4304722

SCHEMBL4304722

CC(=O)CCCC(=O)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.43
PAOX Q6QHF9 4/20 0.41
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 2/20 0.36
PTGS1 P23219 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
DGKA P23743 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4759428 0.92 TSHR (0.52) TSHRALDH1A1TDP1PTGS1HSD17B10
SCHEMBL28765454 0.90 ALDH1A1 (0.50) TSHRALDH1A1TDP1PTGS1HSD17B10
SCHEMBL614868 0.87 TSHR (0.50) TSHRALDH1A1TDP1PTGS1HSD17B10
SCHEMBL338444 0.84 ALDH1A1 (0.47) TSHRALDH1A1PAOXTDP1PTGS1
SCHEMBL5273856 0.84 ALDH1A1 (0.56) TSHRALDH1A1PAOXACHETDP1
SCHEMBL1539244 0.84 ALDH1A1 (0.47) TSHRALDH1A1PAOXTDP1PTGS1
SCHEMBL28687285 0.84 ALDH1A1 (0.47) TSHRALDH1A1PAOXTDP1PTGS1
SCHEMBL7845680 0.84 ALDH1A1 (0.47) TSHRALDH1A1PAOXTDP1PTGS1
SCHEMBL11514647 0.84 ALDH1A1 (0.47) TSHRALDH1A1PAOXTDP1PTGS1
SCHEMBL1539265 0.84 ALDH1A1 (0.47) TSHRALDH1A1PAOXTDP1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390085-B1 HYDROGEL COMPOSITIONS AV TOPCHIEV INST PETROCHEMICAL (RU) 2009-08-05 EP claimed
CN-109369390-A The continuous preparation method of resveratrol triacetate 杭州师范大学 2019-02-22 CN disclosed
CN-104136946-B Near-infrared reflection film and use its near-infrared reflection glass 柯尼卡美能达株式会社 2017-03-08 CN disclosed
US-5252603-A Immunosuppressive analogues and derivatives of succinylacetone CETUS CORPORATION (US) 1993-10-12 US disclosed
US-5216005-A Treating autoimmune diseases, organ tissue transplants CETUS CORPORATION (US) 1993-06-01 US disclosed
US-5173482-A A dioxoalkyl phosponate or a proline-modified polyoxyethylene glycol derivative; autoimmune diseases; organ transplants; immunoassay CETUS CORPORATION (US) 1992-12-22 US disclosed
WO-1991004734-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 4,6-TIOXOHEPTANOIC ACID OR ITS DERIVATIVES CETUS CORPORATION (US) 1991-04-18 WO disclosed
EP-0021481-B2 Artifically flavoured edible oils or fats THE PROCTER & GAMBLE COMPANY (US) 1990-04-04 EP disclosed
US-4895872-A TREATING HYPERACTIVE IMMUNE SYSTEMS; AUTOIMMUNE AND GRAFT/HOST DISEASES CETUS CORPORATION (US) 1990-01-23 US disclosed
WO-1990000049-A2 IMMUNOSUPPRESSIVE ANALOGUES AND DERIVATIVES OF SUCCINYLACETONE CETUS CORPORATION (US) 1990-01-11 WO disclosed
US-4481312-A Sheet structures and fibers containing burr-shaped or fibrous, doped polyacetylene particles and process for the production thereof BAYER AKTIENGESELLSCHAFT (DE) 1984-11-06 US disclosed