SCHEMBL6473235

SCHEMBL6473235

C=C(Cc1ccc(I)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CA2 P00918 2/20 0.39
CAMK2A Q9UQM7 1/20 0.39
CAPN1 P07384 1/20 0.37
CAPN2 P17655 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 1/20 0.36
CTBP2 P56545 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL3426193 0.89 CA2 (0.46) CA2CAMK2ACES2CES1AKR1B1
SCHEMBL2732935 0.83 LMNA (0.54) RXRARXRBCA2CAMK2ACES2
SCHEMBL6472226 0.82 CES2 (0.42) TPMTRXRARXRBCA2CAMK2A
SCHEMBL83884 0.81 CA2 (0.61) CA2CAMK2ALMNACTBP2
SCHEMBL41907 0.80 CES1 (0.58) CES2CES1AKR1B1ABCC4LMNA
SCHEMBL6472518 0.79 CES2 (0.40) TPMTRXRARXRBCA2CAMK2A
SCHEMBL6442701 0.79 ALDH1A1 (0.52) RXRARXRBCA2CAMK2ALMNA
SCHEMBL1629363 0.79 CTBP2 (0.56) LMNACTBP2
SCHEMBL1921797 0.79 CTBP2 (0.56) LMNAGAACTBP2
SCHEMBL397389 0.79 MEN1 (0.49) LMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005109041-A1 COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES MEDICAL POLYMERS LIMITED (GB) 2005-11-17 WO claimed
WO-2005109041-A1 COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES MEDICAL POLYMERS LIMITED (GB) 2005-11-17 WO disclosed
US-6040408-A Radiopaque polymers and methods for preparation thereof BIOMAT B.V. (NL) 2000-03-21 US disclosed
EP-0777503-B1 RADIOPAQUE POLYMERS AND METHODS FOR PREPARATION THEREOF BIOMAT BV (NL) 1999-11-17 EP disclosed
EP-0777503-A1 RADIOPAQUE POLYMERS AND METHODS FOR PREPARATION THEREOF Biomat B.V. (NL) 1997-06-11 EP disclosed
WO-1996005872-A1 RADIOPAQUE POLYMERS AND METHODS FOR PREPARATION THEREOF BIOMAT B.V. (NL) 1996-02-29 WO disclosed