SCHEMBL7500004

SCHEMBL7500004

COC(=O)c1ccc(OCCCC2(c3ccccc3)OCCO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL7504793 0.89 PKM (0.55) MAPTRAB9AL3MBTL1TDP1ALDH1A1
SCHEMBL24844734 0.78 MAPT (0.90) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL6539224 0.78 MAPT (0.90) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL5284759 0.77 MAPT (1.00) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL12243289 0.77 LMNA (0.58) MAPTRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL4611767 0.77 LMNA (0.42) MAPTRAB9ASMN1; SMN2L3MBTL1KDM4E
Benzene SCHEMBL27950703 0.75 MAPT (0.78) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL21167279 0.75 DRD2 (0.44) SMN1; SMN2L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL2469151 0.75 MAPT (0.89) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL16057140 0.74 TSHR (0.55) MAPTRAB9ASMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814804-B1 SUBSTITUTED BENZOPYRANS SMITHKLINE BEECHAM CORP (US) 2002-07-24 EP disclosed
US-5939447-A Substituted benzopyrans SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
EP-0814804-A4 SUBSTITUTED BENZOPYRANS SMITHKLINE BEECHAM CORP (US) 1999-04-14 EP disclosed
EP-0814804-A1 SUBSTITUTED BENZOPYRANS SMITHKLINE BEECHAM CORPORATION (US) 1998-01-07 EP disclosed
WO-1997025040-A1 SUBSTITUTED BENZOPYRANS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed