SCHEMBL27506643

SCHEMBL27506643

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.43
TAS1R1 Q7RTX1 4/20 0.43
TAS1R2 Q8TE23 4/20 0.43
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL27487727 0.99 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KDM4EL3MBTL1
SCHEMBL27489423 0.86 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2KDM4EHPGD
SCHEMBL27487365 0.85 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2KDM4EPOLB
SCHEMBL27562937 0.85 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2HPGDPOLB
SCHEMBL27507489 0.84 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2HPGDPOLB
SCHEMBL27488080 0.83 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2KDM4EL3MBTL1
SCHEMBL27523495 0.82 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2KDM4EL3MBTL1
SCHEMBL27489123 0.81 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KDM4EL3MBTL1
SCHEMBL27488803 0.81 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2L3MBTL1HPGD
SCHEMBL27486995 0.81 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2KDM4EL3MBTL1

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