SCHEMBL25837233

SCHEMBL25837233

COc1cc2c(OCc3ccccc3)cc(I)c(-c3ccccc3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
APP P05067 1/20 0.46
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GSK3B P49841 1/20 0.43
ELANE P08246 1/20 0.43
SMPD1 P17405 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL25837478 0.87 MGAM (0.46) CTSLCDK5CDK5R1CDK1CCNB1
SCHEMBL25837414 0.87 PTPN1 (0.44) CTSVCTSLAPPCDK5CDK5R1
SCHEMBL25876599 0.87 CDK5 (0.38) CTSVCTSLAPPCDK5CDK5R1
SCHEMBL15763617 0.87 MGAM (0.44) CTSVCTSLAPPCDK5CDK5R1
SCHEMBL18827134 0.86 GSK3B (0.54) CTSLAPPCDK5CDK5R1MGAM
SCHEMBL25837218 0.85 CTSV (0.46) CTSVCTSLCDK5CDK5R1CDK1
SCHEMBL17736783 0.84 FFAR1 (0.43) CDK5CDK5R1CDK1CCNB1NPC1
SCHEMBL4568722 0.84 MAPT (0.38) APPCDK5CDK5R1CDK1CCNB1
SCHEMBL15906565 0.84 HTR1A (0.37) CTSVCTSLAPPCDK5CDK5R1
SCHEMBL17736807 0.83 MAPT (0.42) CDK5CDK5R1CDK1CCNB1SMN1; SMN2

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