SCHEMBL5808683

SCHEMBL5808683

CC(=O)N[C@@H](CC(C)C)C(=O)OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
FOLH1 Q04609 3/20 0.43
NPR3 P17342 1/20 0.43
BIRC2 Q13490 3/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL5808681 1.00 ALDH1A1 (0.60) ALDH1A1FOLH1NPR3BIRC2TAS1R3
SCHEMBL10795132 1.00 ALDH1A1 (0.60) ALDH1A1FOLH1NPR3BIRC2TAS1R3
SCHEMBL245758 0.84 ALDH1A1 (0.64) ALDH1A1FOLH1BIRC2TAS1R3TAS1R1
SCHEMBL5812880 0.84 ALDH1A1 (0.64) ALDH1A1FOLH1BIRC2TAS1R3TAS1R1
SCHEMBL11316551 0.84 ALDH1A1 (0.64) ALDH1A1FOLH1BIRC2TAS1R3TAS1R1
SCHEMBL24668416 0.84 ALDH1A1 (0.65) ALDH1A1FOLH1TAS1R3TAS1R1KDM4E
SCHEMBL23052316 0.83 BIRC2 (0.48) ALDH1A1FOLH1NPR3BIRC2TAS1R3
SCHEMBL5810231 0.82 ALDH1A1 (0.42) ALDH1A1NPR3KDM4EMAPTRXFP1
SCHEMBL5810228 0.82 ALDH1A1 (0.42) ALDH1A1NPR3KDM4EMAPTRXFP1
SCHEMBL15435453 0.81 ALDH1A1 (0.60) ALDH1A1FOLH1BIRC2TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed
EP-0105745-B1 PACKING MATERIALS FOR CHROMATOGRAPHIC USE AND THEIR EMPLOYMENT IN ANALYSING ENANTIOMERIC MIXTURES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-12-16 EP disclosed
US-4512898-A ORGANOSILANE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-23 US disclosed
EP-0105745-A2 Packing materials for chromatographic use and their employment in analysing enantiomeric mixtures SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-18 EP disclosed