SCHEMBL4627719

SCHEMBL4627719

C=COCC1COC(=O)c2ccc3c(c2C(=O)O1)CC3COC=C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4625681 0.91 CYP3A4 (0.32) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4625734 0.82 CYP3A4 (0.31) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4624405 0.69
SCHEMBL1399460 0.66 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL7192840 0.63 MAOA (0.40)
SCHEMBL4624463 0.62
SCHEMBL25906814 0.61 CYP3A4 (0.32) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
Benzene SCHEMBL1685814 0.57 ALDH1A1 (0.48) CYP3A4TSHR
Toluene SCHEMBL3276598 0.57 ALDH1A1 (0.47) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL1414785 0.57 PRSS1 (0.35)

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-1447217-B1 Heat-sensitive lithographic printing plate FUJIFILM CORP (JP) 2008-06-18 EP disclosed
US-7101649-B2 Heat-sensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-09-05 US disclosed
US-20040166431-A1 Heat-sensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2004-08-26 US disclosed
EP-1447217-A2 Heat-sensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2004-08-18 EP disclosed