SCHEMBL11630993

SCHEMBL11630993

CCCCCCC(=O)Nc1c(I)c(NC(=O)CCCC(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
MAPK1 P28482 1/20 0.52
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL11631680 0.90 MAPK1 (0.58) TSHRMAPK1ALDH1A1TDP1KMT2A
SCHEMBL11629297 0.85 TSHR (0.51) TSHRMAPK1ALDH1A1HSD17B10HSP90AA1
SCHEMBL11630987 0.84 TSHR (0.43) TSHRMAPK1GPR84PPARGPPARD
SCHEMBL30881051 0.82 MAPK1 (0.51) TSHRMAPK1HDAC11ALDH1A1HSD17B10
Diatrizoic Acid SCHEMBL8859575 0.81 LMNA (0.55) TSHRMAPK1GPR84PPARGPPARD
Diatrizoic Acid SCHEMBL9052480 0.81 LMNA (0.55) TSHRMAPK1GPR84PPARGPPARD
SCHEMBL11630623 0.80 MAPK1 (0.51) TSHRMAPK1ALDH1A1TDP1KMT2A
SCHEMBL11635946 0.80 MAPK1 (0.41) TSHRMAPK1ALDH1A1TDP1KMT2A
SCHEMBL11632892 0.80 MAPK1 (0.48) TSHRMAPK1ALDH1A1TDP1KMT2A
SCHEMBL11632856 0.78 MAPK1 (0.46) TSHRMAPK1ALDH1A1KMT2AMEN1

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
US-4111937-A IODINATED ANILIC ACIDS STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4031088-A Iodinated anilic acids STERLING DRUG INC. (US) 1977-06-21 US disclosed