SCHEMBL18543718

SCHEMBL18543718

CCc1cccc2c1C(C(C(=O)O)c1ccccc1)c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C9 P11712 2/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
GRM2 Q14416 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
PRMT1 Q99873 1/20 0.36

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
SCHEMBL18543716 0.88 POLB (0.42) HTTKMT2AMEN1USP2L3MBTL1
SCHEMBL262699 0.82 CYP2C9 (0.47) KMT2AMEN1USP2L3MBTL1TSHR
SCHEMBL263789 0.75 HTT (0.43) HTTKMT2AMEN1USP2L3MBTL1
SCHEMBL7181697 0.73 HTT (0.45) HTTKMT2AMEN1USP2L3MBTL1
SCHEMBL7190904 0.72 HTT (0.46) HTTKMT2AMEN1USP2L3MBTL1
SCHEMBL8205275 0.72 HTT (0.46) HTTKMT2AMEN1USP2L3MBTL1
SCHEMBL2885668 0.72 HTT (0.45) HTTKMT2AMEN1USP2L3MBTL1
SCHEMBL28256758 0.72 HTT (0.45) HTTKMT2AMEN1USP2L3MBTL1
Potassium Ion SCHEMBL4430077 0.71 HTT (0.54) HTTKMT2AMEN1USP2L3MBTL1
SCHEMBL2230565 0.71 HTT (0.54) HTTKMT2AMEN1USP2L3MBTL1

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