SCHEMBL22493976

SCHEMBL22493976

Cc1cc(C2(c3ccc(OCC(O)COCC4CO4)c(C)c3)c3ccccc3-c3ccccc32)ccc1OCC(O)COCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 8/20 0.35
MEN1 O00255 6/20 0.35
LMNA P02545 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
VDR P11473 1/20 0.33
NPY1R P25929 1/20 0.33

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
SCHEMBL22493952 0.88 ESR1 (0.39) ESR1ESR2ALDH1A1GLAKMT2A
SCHEMBL1673410 0.85 ALDH1A1 (0.55) ESR1ESR2ALDH1A1GLACYP1A2
SCHEMBL30970985 0.85 ALDH1A1 (0.55) ESR1ESR2ALDH1A1GLACYP1A2
SCHEMBL20077674 0.85 ALDH1A1 (0.55) ESR1ESR2ALDH1A1GLACYP1A2
SCHEMBL29385239 0.85 ALDH1A1 (0.55) ESR1ESR2ALDH1A1GLACYP1A2
SCHEMBL17061460 0.84 ESR1 (0.44) ESR1ESR2ALDH1A1GLACYP1A2
SCHEMBL30391127 0.84 ESR1 (0.44) ESR1ESR2ALDH1A1GLACYP1A2
SCHEMBL30970986 0.84 ESR1 (0.44) ESR1ESR2ALDH1A1GLACYP1A2
SCHEMBL21829155 0.84 TDP1 (0.40) ESR1ESR2ALDH1A1CYP1A2KDM4E
SCHEMBL29848498 0.83 ESR1 (0.41) ESR1ESR2ALDH1A1GLAKDM4E

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
US-20200319549-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELEMENT HAVING CURED FILM, ORGANIC EL DISPLAY, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY TORAY INDUSTRIES, INC. (JP) 2020-10-08 US disclosed
CN-111164512-A Photosensitive resin composition, cured film, element provided with cured film, organic EL display, and method for manufacturing organic EL display 东丽株式会社 2020-05-15 CN disclosed