SCHEMBL21753940

SCHEMBL21753940

CCOc1c(C)ccc(OC)c1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CALM1 P0DP23 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TUBB1 Q9H4B7 3/20 0.41
PDE4D Q08499 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL16479308 0.94 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL10434028 0.84 NQO1 (0.48) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL14612800 0.82 SMN1; SMN2 (0.53) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL22472259 0.78 MAPT (0.42) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL12180442 0.77 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL16479303 0.76 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL2518861 0.76 SMN1; SMN2 (0.68) ALDH1A1HPGDKDM4EMAPTHTR2A
SCHEMBL29767819 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL1226775 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL23706781 0.75 MAPT (0.40) ALDH1A1HPGDKDM4EMAPTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020045938-A1 HIGHLY REFRACTIVE EPISULFIDE-BASED OPTICAL MATERIAL STABILIZER, OPTICAL MATERIAL COMPOSITION USING SAME, AND METHOD FOR PRODUCING OPTICAL MATERIAL 주식회사 케이오씨솔루션 2020-03-05 WO disclosed
WO-2020045974-A1 HIGHLY REFRACTIVE EPISULFIDE-BASED OPTICAL MATERIAL STABILIZER, OPTICAL MATERIAL COMPOSITION USING SAME, AND METHOD FOR PRODUCING OPTICAL MATERIAL 주식회사 케이오씨솔루션 2020-03-05 WO disclosed
WO-2020046005-A1 HIGHLY REFRACTIVE EPISULFIDE-BASED OPTICAL MATERIAL STABILIZER, OPTICAL MATERIAL COMPOSITION USING SAME, AND METHOD FOR PRODUCING OPTICAL MATERIAL 주식회사 케이오씨솔루션 2020-03-05 WO disclosed
WO-2020040486-A1 STABILIZER FOR EPISULFIDE-BASED OPTICAL MATERIAL HAVING HIGH REFRACTIVE INDEX, COMPOSITION FOR OPTICAL MATERIAL USING SAME, AND METHOD FOR PRODUCING OPTICAL MATERIAL 주식회사 케이오씨솔루션 2020-02-27 WO disclosed
WO-2020040485-A1 STABILIZER FOR EPISULFIDE-BASED OPTICAL MATERIAL HAVING HIGH REFRACTIVE INDEX, COMPOSITION FOR OPTICAL MATERIAL USING SAME, AND METHOD FOR PRODUCING OPTICAL MATERIAL 주식회사 케이오씨솔루션 2020-02-27 WO disclosed