SCHEMBL25837478

SCHEMBL25837478

COc1ccc(-c2cc3c(-c4ccccc4)c(I)cc(OCc4ccccc4)c3cc2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.46
GAA P10253 4/20 0.46
SI P14410 4/20 0.46
MGAM2 Q2M2H8 4/20 0.46
C5AR1 P21730 1/20 0.45
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
GSK3B P49841 1/20 0.44
SYK P43405 5/20 0.43
ABCB1 P08183 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CDK1 P06493 1/20 0.40

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
SCHEMBL15763617 0.91 MGAM (0.44) MGAMGAASIMGAM2C5AR1
SCHEMBL25837233 0.87 CTSV (0.46) MGAMGAASIMGAM2CDK5
SCHEMBL15765717 0.87 PTPN1 (0.39) MGAMGAASIMGAM2SYK
SCHEMBL25837551 0.85 GSK3B (0.50) MGAMGAASIMGAM2C5AR1
SCHEMBL18827134 0.84 GSK3B (0.54) MGAMGAASIMGAM2CDK5
SCHEMBL18827160 0.83 C5AR1 (0.50) MGAMGAASIMGAM2C5AR1
SCHEMBL15449614 0.80 PIN1 (0.39) MGAMGAASIMGAM2C5AR1
SCHEMBL25876599 0.78 CDK5 (0.38) MGAMGAASIMGAM2CDK5
SCHEMBL25837414 0.78 PTPN1 (0.44) MGAMGAASIMGAM2CDK5
SCHEMBL10263140 0.78 PTPN1 (0.40) GAACDK5CDK5R1GSK3BNPSR1

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