SCHEMBL1322692

SCHEMBL1322692

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
TSHR P16473 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 4/20 0.41
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.35
LMNA P02545 3/20 0.35
AKR1B1 P15121 1/20 0.34
MAPK1 P28482 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
CYP1A2 P05177 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL11873190 0.99 CYP3A4 (0.43) CYP3A4TSHRATMTDP1CA2
SCHEMBL3373642 0.93 TSHR (0.50) CYP3A4TSHRATMTDP1CA2
SCHEMBL8331266 0.92 TSHR (0.49) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL17911304 0.83 CYP3A4 (0.42) CYP3A4TSHRATMTDP1CA2
SCHEMBL30057520 0.81 AKR1B1 (0.46) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL6064651 0.81 TSHR (0.49) CYP3A4TSHRATMTDP1CA2
SCHEMBL29128599 0.78 FFAR4 (0.47) TSHRTDP1ALDH1A1LMNAMAPK1
SCHEMBL16670058 0.78 CTSK (0.46)
SCHEMBL2488121 0.77 HCAR2 (0.44) CYP3A4TSHRATMTDP1CA2
SCHEMBL1176714 0.77 TSHR (0.37) CYP3A4TSHRATMTDP1CA2

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-10132759-B2 Fissure-detection agent, method for the production thereof and use of the fissure-detection agent CHEMETALL GMBH (DE) 2018-11-20 US disclosed
US-20160252462-A1 Fissure-Detection Agent, Method For The Production Thereof And Use Of The Fissure-Detection Agent CHEMETALL GMBH (DE) 2016-09-01 US disclosed
US-8057869-B2 Plastic film, gas barrier film, and image display device using the same FUJIFILM CORPORATION (JP) 2011-11-15 US disclosed
US-20060232735-A1 Plastic film, gas barrier film, and image display device using the same FUJI PHOTO FILM CO., LTD. (JP) 2006-10-19 US disclosed