SCHEMBL6156797

SCHEMBL6156797

C=C(C=Cc1ccccc1)C(=O)OC(C)(C)C.C=CC(=O)OCCCC.C=CC(=O)OCCO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
APP P05067 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
AKR1B10 O60218 2/20 0.38
AKR1B1 P15121 2/20 0.38
BCHE P06276 4/20 0.37
PPARA Q07869 2/20 0.37
ACHE P22303 2/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL6392371 0.96 TSHR (0.48) TSHRHPGDAPPTDP1KDM4E
SCHEMBL3819294 0.95 TSHR (0.40) TSHRHPGDAPPTDP1KDM4E
SCHEMBL10906553 0.91 TSHR (0.49) TSHRHPGDAPPTDP1KDM4E
SCHEMBL5680520 0.91 TSHR (0.41) TSHRHPGDAPPTDP1KDM4E
SCHEMBL4809271 0.90 TSHR (0.42) TSHRHPGDAPPTDP1KDM4E
SCHEMBL10903545 0.89 POLB (0.36) TSHRHPGDAPPTDP1KDM4E
Methacrylic Acid SCHEMBL12803146 0.87 TSHR (0.45) TSHRHPGDAPPTDP1KDM4E
SCHEMBL11598347 0.86 TSHR (0.49) TSHRHPGDAPPTDP1KDM4E
SCHEMBL10906583 0.86 TSHR (0.39) TSHRHPGDAPPTDP1KDM4E
SCHEMBL9791360 0.84 TSHR (0.42) TSHRHPGDAPPTDP1KDM4E

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-1505436-A1 A silver salt photothermographic dry imaging material Konica Minolta Medical & Graphic, Inc. (JP) 2005-02-09 EP disclosed
US-4571379-A ACRYLATE TERPOLYMER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-02-18 US disclosed