SCHEMBL10835005

SCHEMBL10835005

C[C](C)Cc1ccccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.61
DRD2 P14416 2/20 0.61
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 4/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
LIPE Q05469 1/20 0.54
ABCB1 P08183 5/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
ALPG P10696 1/20 0.51
PTK2B Q14289 1/20 0.51

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
SCHEMBL68571 0.86 L3MBTL1 (0.69) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL3023243 0.82 MAOB (0.51) L3MBTL1LMNA
SCHEMBL31757965 0.82 CFD (0.68) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL1007508 0.82 CFD (0.68) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL27714342 0.81 HTR1A (0.65) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL1412911 0.81 HTR1A (0.59) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL31757763 0.80 L3MBTL1 (0.56) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL2988197 0.80 L3MBTL1 (0.56) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL9026235 0.80 PTPN1 (0.46) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL7145344 0.80 HTR1A (0.54) HTR1ADRD2GAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4604481-A Compounds for treatment or prophylaxis of cardiac disorders AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-08-05 US disclosed
US-4405642-A BETA-BLOCKING AROMATIC ESTER COMPOUND AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1983-09-20 US disclosed