SCHEMBL18543716

SCHEMBL18543716

CCOC(=O)C(c1ccccc1)C1c2ccccc2Oc2cccc(CC)c21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MMP8 P22894 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL18543718 0.88 HTT (0.44) HTTTSHRMEN1KMT2AUSP2
SCHEMBL263789 0.76 HTT (0.43) POLBHTTTSHRMEN1KMT2A
SCHEMBL28430986 0.75 POLB (0.53) POLBHTTTSHRKDM4EMEN1
SCHEMBL5552878 0.74 POLB (0.50) POLBHTTTSHRKDM4EMEN1
SCHEMBL7181697 0.72 HTT (0.45) POLBHTTTSHRMEN1KMT2A
SCHEMBL9545140 0.72 POLB (0.51) POLBTSHRKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9241189 0.71 POLB (0.50) POLBTSHRKDM4EMEN1KMT2A
SCHEMBL28431266 0.71 SMN1; SMN2 (0.47) POLBHTTTSHRKDM4EMEN1
SCHEMBL13685280 0.70 CYP1A2 (0.48) POLBTSHRKDM4EMEN1KMT2A
SCHEMBL262699 0.70 CYP2C9 (0.47) TSHRMEN1KMT2AUSP2TP53

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
EP-2443482-B1 BIOMEDICAL DEVICES, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING THE SAME. BAUSCH & LOMB (US) 2017-03-01 EP claimed