SCHEMBL21755772

SCHEMBL21755772

Oc1c(I)cc(C2c3ccc4c(O)cccc4c3Oc3c2ccc2c(O)cccc32)cc1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYB P10242 3/20 0.33
PLAU P00749 1/20 0.32
CDK2 P24941 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
CYP2C19 P33261 1/20 0.30
EYA3 Q99504 1/20 0.30
CYP1A2 P05177 1/20 0.30
APP P05067 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
SNCA P37840 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21755769 0.87 LMNA (0.38) MYBCDK2LMNAHTTCYP2C19
SCHEMBL21755816 0.79 SHBG (0.36) MYBESR1ESR2LMNAMAPT
SCHEMBL23900988 0.76 CYP1A2 (0.40) MYBPLAUCYP1A2
SCHEMBL18644308 0.73 MYB (0.36) MYBESR1ESR2LMNAHTT
SCHEMBL21755764 0.70 TRPM4 (0.38) MYBCDK2LMNACYP2C19EYA3
SCHEMBL15688238 0.70 GAA (0.41) CDK2ESR1ESR2LMNACYP1A2
SCHEMBL23900987 0.64 KDM1A (0.41) MYBCYP1A2
SCHEMBL23587401 0.63 MCL1 (0.39) MYBLMNACYP1A2MAPTTHRB
SCHEMBL26388888 0.63 LMNA (0.36) PLAUCDK2ESR1ESR2LMNA
SCHEMBL4960075 0.62 IDO1 (0.52) PLAUCDK2ESR1ESR2LMNA

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
EP-3842491-A1 COMPOUND, COMPOSITION CONTAINING THE SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-30 EP disclosed
WO-2020040162-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed