SCHEMBL29266646

SCHEMBL29266646

O=C(Oc1ccc(OC(=O)c2ccc(I)cc2)c(C(=O)O)c1)c1ccc(I)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
POLB P06746 2/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 5/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TPMT P51580 1/20 0.43
CFD P00746 2/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL11191978 0.89 MAPT (0.56) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL25270974 0.85 MAPT (0.53) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL25273617 0.82 MAPT (0.50) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL25225189 0.81 PTPN11 (0.39) MAPTKDM4EPOLBMAPK1RXRA
SCHEMBL30457343 0.81 PTPN11 (0.39) MAPTKDM4EPOLBMAPK1RXRA
SCHEMBL18333400 0.80 KMT2A (0.55) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL3712188 0.79 MAPT (0.55) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL15939509 0.79 MAPT (0.50) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL25272617 0.79 MAPT (0.51) MAPTKDM4EPOLBMAPK1KMT2A
SCHEMBL11204741 0.79 MAPT (0.49) MAPTKDM4EPOLBMAPK1KMT2A

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-118318024-A Liquid crystal compound 罗利克技术有限公司 2024-07-09 CN disclosed