SCHEMBL5814142

SCHEMBL5814142

CCCOC(=O)[C@H](CC(C)C)NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TAS1R3 Q7RTX0 6/20 0.49
TAS1R1 Q7RTX1 6/20 0.49
BIRC2 Q13490 3/20 0.40
PPID Q08752 1/20 0.39
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G2A P14555 2/20 0.36
PLA2G5 P39877 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
SCHEMBL5814137 1.00 ALDH1A1 (0.56) ALDH1A1TAS1R3TAS1R1BIRC2PPID
SCHEMBL11675839 0.87 ALDH1A1 (0.50) ALDH1A1BIRC2PLA2G2APLA2G5
SCHEMBL11675841 0.87 ALDH1A1 (0.50) ALDH1A1BIRC2PLA2G2APLA2G5
SCHEMBL14373742 0.87 ALDH1A1 (0.50) ALDH1A1BIRC2PLA2G2APLA2G5
SCHEMBL27864476 0.87 ALDH1A1 (0.50) ALDH1A1BIRC2PLA2G2APLA2G5
SCHEMBL5813379 0.85 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2PPID
SCHEMBL5813383 0.85 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2PPID
SCHEMBL5810984 0.81 MAPT (0.38) ALDH1A1TAS1R3TAS1R1
SCHEMBL5810986 0.81 MAPT (0.38) ALDH1A1TAS1R3TAS1R1
SCHEMBL25602454 0.81 TAS1R3 (0.45) ALDH1A1TAS1R3TAS1R1BIRC2PPID

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed