SCHEMBL9385244

SCHEMBL9385244

CCOC(=O)c1ccc(OCCC2CO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MAPT P10636 4/20 0.49
TBXAS1 P24557 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ESR2 Q92731 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 2/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
STS P08842 1/20 0.47

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
SCHEMBL8536518 0.86 ALDH1A1 (0.51) TDP1L3MBTL1KCNH2HRH3MAPT
SCHEMBL9611212 0.84 MAPT (0.46) TDP1L3MBTL1MAPTLMNACYP1A2
SCHEMBL18635927 0.83 THRA (0.46) TDP1L3MBTL1MAPTLMNACYP1A2
SCHEMBL9380023 0.83 TDP1 (0.46) TDP1L3MBTL1KCNH2HRH3MAPT
SCHEMBL6701399 0.82 TDP1 (0.74) TDP1L3MBTL1KCNH2HRH3MAPT
SCHEMBL4946581 0.81 PKM (0.57) L3MBTL1ALDH1A1
SCHEMBL12926245 0.81 PRSS1 (0.46) L3MBTL1MAPTLMNACYP1A2CYP3A4
SCHEMBL20629418 0.80 TDP1 (0.46) TDP1L3MBTL1MAPTLMNACYP1A2
SCHEMBL17431005 0.80 LMNA (0.48) L3MBTL1MAPTALDH1A1LMNACYP1A2
SCHEMBL7317389 0.80 KCNH2 (0.56) TDP1L3MBTL1KCNH2HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398426-B1 Antirhinoviral (thio)morpholinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA NV (BE) 1994-03-09 EP disclosed
US-5070090-A SUSTAINED RELEASE FROM CYCLODEXTRIN INCLUSION COMPOUND JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-03 US disclosed
EP-0398426-A1 Antirhinoviral (thio)morpholinyl and piperazinyl alkylphenol ethers JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-22 EP disclosed