SCHEMBL7905010

SCHEMBL7905010

CCCCCC(C)(C)OOC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 8/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 1/20 0.43
ACP1 P24666 1/20 0.43
CDC25B P30305 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
ELANE P08246 1/20 0.41
AKR1C3 P42330 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 1/20 0.39
CCNB2 O95067 1/20 0.38

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
SCHEMBL7907952 0.91 ALDH1A1 (0.46) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6708934 0.89 ALDH1A1 (0.54) TSHRCYP3A4ALDH1A1LMNATDP1
SCHEMBL6159769 0.87 TSHR (0.39) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL4612232 0.85 ELANE (0.49) TSHRCYP3A4ALDH1A1LMNATDP1
SCHEMBL27740169 0.85 TDP1 (0.57) TSHRALDH1A1LMNATDP1HSD17B10
SCHEMBL7905008 0.81 ALDH1A1 (0.47) TSHRCYP3A4ALDH1A1LMNATDP1
SCHEMBL269526 0.81 TSHR (0.41) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL2940514 0.80 TSHR (0.39) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL1815675 0.79 ALDH1A1 (0.69) TSHRCYP3A4ALDH1A1LMNATDP1
SCHEMBL29388336 0.79 ALDH1A1 (0.69) TSHRCYP3A4ALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520364-B1 Photopolymerizable composition FUJI PHOTO FILM CO LTD (JP) 1997-09-17 EP claimed
EP-1096314-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2001-05-02 EP disclosed