SCHEMBL7349652

SCHEMBL7349652

CC1(C)CC(=O)C2=C(CCCCCC2)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOA P21397 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30530981 0.73 IDO1 (0.40) NPSR1L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL14462106 0.71
SCHEMBL14405938 0.71
SCHEMBL7815255 0.71 LMNA (0.41) ALDH1A1
SCHEMBL16146464 0.65
SCHEMBL11830416 0.64 LMNA (0.42) ALDH1A1
SCHEMBL11733709 0.61
SCHEMBL1331203 0.61
SCHEMBL12152815 0.60 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11153251 0.58 TSHR (0.32)

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
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO disclosed