SCHEMBL4101376

SCHEMBL4101376

CCCCOC(=O)C(C)=C(C)CCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 5/20 0.48
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.42
CES1 P23141 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
CES2 O00748 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL9502715 1.00 ALDH1A1 (0.54) ALDH1A1TSHRATMHPGDCES1
SCHEMBL28104725 0.98 ALDH1A1 (0.52) ALDH1A1TSHRATMHPGDCES1
SCHEMBL29117654 0.94 ALDH1A1 (0.52) ALDH1A1TSHRATMHPGDCES1
SCHEMBL29117650 0.94 TSHR (0.56) ALDH1A1TSHRATMHCAR2NAAA
SCHEMBL29907782 0.89 TSHR (0.59) ALDH1A1TSHRCES1HCAR2NAAA
SCHEMBL9502866 0.89 TSHR (0.59) ALDH1A1TSHRCES1HCAR2NAAA
SCHEMBL5159295 0.85 ALDH1A1 (0.65) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL7536526 0.85 ALDH1A1 (0.65) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL7536522 0.85 ALDH1A1 (0.65) ALDH1A1TSHRATMHPGDHCAR2
SCHEMBL29117851 0.85 TSHR (0.59) ALDH1A1TSHRHCAR2NAAADGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897154-A One kind being based on supercritical CO2Polyurethane material of preparation and preparation method thereof 鲍可可 2019-06-18 CN claimed
CN-109880045-A A kind of fire-retardant sound-absorbing polyurethane material and preparation method thereof 鲍可可 2019-06-14 CN claimed
CN-117551325-A PVC flame-retardant floor film and preparation method thereof 镇江双晟新材料有限公司 2024-02-13 CN disclosed
CN-109897154-A One kind being based on supercritical CO2Polyurethane material of preparation and preparation method thereof 鲍可可 2019-06-18 CN disclosed
CN-109880045-A A kind of fire-retardant sound-absorbing polyurethane material and preparation method thereof 鲍可可 2019-06-14 CN disclosed
US-8598250-B2 Photocurable acrylic viscoelastic material composition, acrylic viscoelastic material, acrylic viscoelastic material layer tape or sheet and proceed for producing the same NITTO DENKO CORPORATION (JP) 2013-12-03 US disclosed
EP-2085444-A1 Photocurable acrylic viscoelastic material composition, acrylic viscoelastic material, acrylic viscoelastic material layer tape or sheet and process for producing the same Nitto Denko Corporation (JP) 2009-08-05 EP disclosed
US-20090186164-A1 PHOTOCURABLE ACRYLIC VISCOELASTIC MATERIAL COMPOSITION, ACRYLIC VISCOELASTIC MATERIAL, ACRYLIC VISCOELASTIC MATERIAL LAYER TAPE OR SHEET AND PROCEED FOR PRODUCING THE SAME NITTO DENKO CORPORATION (JP) 2009-07-23 US disclosed
EP-0020529-B1 PHOTOPOLYMERIZED HYDROPHILIC INTERPOLYMERS OF UNSATURATED CARBOXYLIC ACID AND ESTERS The B.F. GOODRICH Company (US) 1983-02-16 EP disclosed