SCHEMBL3268596

SCHEMBL3268596

C=Cc1ccc(CP(=O)(O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CETP P11597 4/20 0.51
FOLH1 Q04609 1/20 0.43
SRC P12931 1/20 0.42
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
NR1I2 O75469 1/20 0.38
ALPG P10696 1/20 0.38
PTK2B Q14289 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HPGD P15428 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
SCHEMBL7631529 0.86 TSHR (0.68) TSHRCETPFOLH1SRCPDPK1
SCHEMBL10685051 0.84 PPARD (0.39) NR1I2ALDH1A1TAS1R3TAS1R1
SCHEMBL9505799 0.84 CETP (0.42) TSHRCETPFOLH1SRCALDH1A1
Hydrochloric Acid SCHEMBL7372995 0.84 TSHR (0.66) TSHRCETPFOLH1SRCPDPK1
SCHEMBL11409691 0.83 PPARD (0.38) NR1I2ALDH1A1TAS1R3TAS1R1
SCHEMBL27882401 0.83 TSHR (0.59) TSHRCETPFOLH1SRCPDPK1
SCHEMBL27560451 0.81 TSHR (0.58) TSHRCETPFOLH1SRCMAPT
SCHEMBL27866003 0.80 TSHR (0.56) TSHRCETPFOLH1SRCMAPT
Propionic Acid SCHEMBL28574297 0.80 CETP (0.62) TSHRCETPFOLH1SRCPDPK1
SCHEMBL3266718 0.79 TSHR (0.44) TSHRCETPSRCPDPK1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694298-B1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC (JP) 2010-06-09 EP disclosed
US-5883153-A SUSTAINED RELEASE GLASS IONOMERS SHOFU INC. (JP) 1999-03-16 US disclosed
EP-0694298-A1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC. (JP) 1996-01-31 EP disclosed