SCHEMBL30956331

SCHEMBL30956331

C=CC(=O)c1c(I)cc(I)c(C(=O)O)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
TPMT P51580 1/20 0.38
AKT1 P31749 1/20 0.36
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
JAK1 P23458 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29248751 1.00 MAPK1 (0.42) MAPK1TSHRTPMTAKT1ALDH5A1
SCHEMBL377395 0.83 MAPK1 (0.53) MAPK1TSHRTPMTKDM4EMEN1
Hydrochloric Acid SCHEMBL11407766 0.81 MAPK1 (0.52) MAPK1TSHRTPMTKDM4EMEN1
Acrylamide SCHEMBL8663429 0.75 TSHR (0.39) MAPK1TSHRTPMTALDH1A1
SCHEMBL4277000 0.74 TPMT (0.52) MAPK1TSHRTPMTKDM4EMEN1
SCHEMBL31409214 0.74 TPMT (0.52) MAPK1TSHRTPMTKDM4EMEN1
SCHEMBL6471831 0.74 TSHR (0.59) MAPK1TSHRTPMTEGFR
SCHEMBL30692485 0.74 TSHR (0.59) MAPK1TSHRTPMTEGFR
SCHEMBL3663229 0.74 TSHR (0.46) MAPK1TSHRTPMTALDH1A1CYP3A4
SCHEMBL28691627 0.74 TSHR (0.50) MAPK1TSHRTPMTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118286496-A Preparation method of embolism microsphere 上海拓脉医疗科技有限公司 2024-07-05 CN disclosed