SCHEMBL21755816

SCHEMBL21755816

Oc1ccc2c3c(ccc2c1)C(c1cc(I)c(O)c(I)c1)c1ccc2cc(O)ccc2c1O3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
MYB P10242 4/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
HNF4A P41235 1/20 0.33
ACHE P22303 1/20 0.32
PDE4D Q08499 1/20 0.32
TTR P02766 1/20 0.32
MCL1 Q07820 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
BRCA1 P38398 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL21755772 0.79 MYB (0.33) MYBESR1ESR2LMNAHPGD
SCHEMBL21755766 0.78 SIRT2 (0.38) HNF4AALDH1A1LMNAHPGDMEN1
SCHEMBL23900984 0.78 CYP1A2 (0.47) MYBESR1ESR2ACHE
SCHEMBL23587401 0.76 MCL1 (0.39) SHBGMYBACHETTRMCL1
SCHEMBL21755817 0.74 MCL1 (0.31) MYBMCL1
SCHEMBL21755769 0.71 LMNA (0.38) MYBTTRMCL1KDM4EALDH1A1
SCHEMBL21755801 0.70 MEN1 (0.45) TTRMCL1ALDH1A1LMNAHPGD
SCHEMBL18614335 0.70 SIRT2 (0.38) ESR1ESR2ACHEKDM4EALDH1A1
SCHEMBL21755764 0.69 TRPM4 (0.38) MYBACHETTRKDM4EALDH1A1
SCHEMBL23900982 0.68 CYP1A2 (0.44) MYBESR1ESR2ACHEMCL1

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