SCHEMBL25836790

SCHEMBL25836790

CCOCCC1(CCOCC)c2cc(-c3ccccc3)ccc2-c2c1cc(O)c1cc(OC)c(N3CCCCC3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD4 P21917 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
STAT6 P42226 1/20 0.32
GBA1 P04062 1/20 0.31
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 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
SCHEMBL1816275 0.83 KDM4E (0.36) PTPN1ALDH1A1KDM4EHPGDTSHR
SCHEMBL25875886 0.80 KDM4E (0.37) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL25875866 0.77 PTPN1 (0.35) PTPN1ALDH1A1KDM4EHPGDDRD4
SCHEMBL1816802 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTSHRMAPK1
SCHEMBL25836589 0.76 PTPN1 (0.30) PTPN1
SCHEMBL8511775 0.76 PDK2 (0.39) PTPN1ALDH1A1KDM4EHPGDTSHR
SCHEMBL1813140 0.75 PTPN1 (0.37) PTPN1ALDH1A1TSHRSMN1; SMN2DRD4
SCHEMBL8511374 0.74 MEN1 (0.33) PTPN1ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL25836761 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL26629610 0.72 POLB (0.32) ALDH1A1KDM4EHPGDTSHRHSD17B10

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
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed