SCHEMBL27488803

SCHEMBL27488803

Cc1cc(C)c(C(=O)P(=O)(CC(=O)OCC(C)C)C2CCCCC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
TAS1R2 Q8TE23 4/20 0.41
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL27523490 0.99 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2GAAALDH1A1
SCHEMBL27487365 0.88 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2GAAEPHX2
SCHEMBL27507489 0.87 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2LMNAHPGD
SCHEMBL27488080 0.86 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2GAAALDH1A1
SCHEMBL27523495 0.85 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2GAAALDH1A1
SCHEMBL27489123 0.84 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2GAAALDH1A1
SCHEMBL27489423 0.84 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2GAAALDH1A1
SCHEMBL27486995 0.83 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2ALDH1A1NPSR1
SCHEMBL27562937 0.83 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2GAAEPHX2
SCHEMBL5996831 0.81 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2GAAALDH1A1

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
CN-1198831-C Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2005-04-27 CN disclosed
CN-1329005-A Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2002-01-02 CN disclosed