SCHEMBL6690960

SCHEMBL6690960

C=CCc1c(O)cccc1O.OP(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
SRD5A1 P18405 1/20 0.42
XDH P47989 1/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
AKR1B1 P15121 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
ALDH2 P05091 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTNR1A P48039 1/20 0.37
ACHE P22303 2/20 0.36

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
SCHEMBL69556 0.93 GABRA1 (0.48) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL10587406 0.83 GABRA1 (0.53) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL4931545 0.81 GABRA1 (0.42) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL9620573 0.81 GABRA1 (0.42) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL254084 0.81 GABRA1 (0.57) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL6690957 0.80 GABRA1 (0.36) GABRA1GABRB2SRD5A1XDHMEN1
Ammonia Solution, Strong SCHEMBL11068767 0.79 GABRA1 (0.55) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL4926856 0.79 GABRA1 (0.41) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL9272904 0.79 GABRA1 (0.41) GABRA1GABRB2SRD5A1XDHMEN1
SCHEMBL5274928 0.79 TSHR (0.45) GABRA1GABRB2SRD5A1XDHMEN1

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
WO-2004052814-A1 PROCESS FOR THE PREPARATION OF A COSMETIC ACTIVE UNILEVER PLC (GB) 2004-06-24 WO disclosed
US-6172012-B1 LUBRICATING GREASE COMPOSITION COMPRISING TITANIUM ALKOXIDE, CARBOXYLIC ACID, FATTY ACID, WATER, MINERAL OR SYNTHETIC OIL, EXTREME PRESSURE ADDITIVE COMPRISING ZINC DIALKYL DITHIOPHOSPHATE AND SULFURIZED FAT SOLID LUBRICANT INDIAN OIL CORPORATION LIMITED (IN) 2001-01-09 US disclosed