SCHEMBL29655867

SCHEMBL29655867

C=CC(=O)Oc1ccc(/C(CC)=C(\CC)c2ccc(OC(=O)C=C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.66
KMT2A Q03164 4/20 0.66
HIF1A Q16665 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
RECQL P46063 1/20 0.66
THRB P10828 3/20 0.60
NR1I2 O75469 3/20 0.53
BLM P54132 1/20 0.50
STS P08842 1/20 0.49
PTGS2 P35354 2/20 0.44
ESR2 Q92731 2/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NR3C1 P04150 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL2583120 1.00 ESR1 (0.66) ESR1KMT2AHIF1ASMN1; SMN2RECQL
SCHEMBL8835900 0.94 ESR1 (0.58) ESR1KMT2AHIF1ASMN1; SMN2RECQL
SCHEMBL16265262 0.88 ESR1 (0.53) ESR1KMT2AHIF1ASMN1; SMN2RECQL
SCHEMBL2579019 0.86 THRB (0.61) ESR1KMT2AHIF1ASMN1; SMN2RECQL
SCHEMBL10773604 0.86 PTGS2 (0.60) ESR1KMT2ANR1I2PTGS2ESR2
SCHEMBL2577932 0.83 THRB (0.61) ESR1KMT2AHIF1ASMN1; SMN2RECQL
SCHEMBL16265304 0.83 THRB (0.47) ESR1KMT2AHIF1ASMN1; SMN2RECQL
SCHEMBL2583721 0.82 THRB (0.64) ESR1KMT2AHIF1ASMN1; SMN2RECQL
SCHEMBL16265261 0.82 THRB (0.46) ESR1KMT2AHIF1ASMN1; SMN2RECQL
SCHEMBL13857310 0.81 THRB (0.64) ESR1KMT2AHIF1ASMN1; SMN2RECQL

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
WO-2022118745-A1 LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2022-06-09 WO disclosed
WO-2022102624-A1 CURABLE COMPOSITION AND CURED PRODUCT THEREOF 日産化学株式会社 2022-05-19 WO disclosed