SCHEMBL16346124

SCHEMBL16346124

OCCOCCOCCOCCOc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.53
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.40
NR1I2 O75469 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL17627814 1.00 APP (0.53) APPMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4981575 1.00 APP (0.53) APPMAPK1ALDH1A1MEN1KMT2A
SCHEMBL768675 1.00 APP (0.53) APPMAPK1ALDH1A1MEN1KMT2A
SCHEMBL348921 0.87 ALDH1A1 (0.60) APPMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8809033 0.87 ALDH1A1 (0.42) APPMAPK1ALDH1A1MEN1KMT2A
SCHEMBL24303208 0.85 APP (0.67) APPMAPK1ALDH1A1MEN1KMT2A
SCHEMBL3085759 0.85 APP (0.67) APPMAPK1ALDH1A1MEN1KMT2A
SCHEMBL7651553 0.84 APP (0.53) APPMAPK1KDM4ETDP1
SCHEMBL466232 0.83 APP (0.65) APPMAPK1ALDH1A1MEN1KMT2A
SCHEMBL10785918 0.82 KCNA3 (0.43) MAPK1ALDH1A1RECQLKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698943-A Liquid crystal gel with light-emitting and light-responding characteristics, preparation method and application 华中科技大学 2021-11-26 CN claimed
CN-113698943-A Liquid crystal gel with light-emitting and light-responding characteristics, preparation method and application 华中科技大学 2021-11-26 CN disclosed
EP-3016947-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-05-11 EP disclosed
WO-2015000867-A1 BENZOTHIOPHENE DERIVATIVES AS ESTROGEN RECEPTOR INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-01-08 WO disclosed