SCHEMBL8868136

SCHEMBL8868136

COCCOCCOCCOc1ccccc1S(=O)(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.46
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.41
PTK2B Q14289 1/20 0.41
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
AR P10275 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL28867499 1.00 L3MBTL1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL29931968 0.86 ALDH1A1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL8868141 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL9711181 0.82 CA1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL13589549 0.80 CASR (0.42) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL7356282 0.80 NPC1 (0.43) L3MBTL1ALDH1A1LMNANPC1RAB9A
SCHEMBL5349206 0.79 L3MBTL1 (0.61) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL4101620 0.79 L3MBTL1 (0.61) L3MBTL1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL995712 0.79 CYP1A2 (0.51) L3MBTL1ALDH1A1LMNAPOLBKMT2A
SCHEMBL3371631 0.78 CYP3A4 (0.49) L3MBTL1LMNANPC1RAB9AKMT2A

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
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed