SCHEMBL5812170

SCHEMBL5812170

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CNR1 P21554 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
BIRC2 Q13490 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL5812167 1.00 TSHR (0.42) TSHRCNR1DAGLACA12CA14
SCHEMBL30698078 0.87 TSHR (0.35) TSHRCNR1DAGLACA12CA14
SCHEMBL30698077 0.87 TSHR (0.35) TSHRCNR1DAGLACA12CA14
SCHEMBL5807050 0.85 TSHR (0.41) TSHRTRPV1ALDH1A1
SCHEMBL5807047 0.85 TSHR (0.41) TSHRTRPV1ALDH1A1
SCHEMBL27293618 0.83 TSHR (0.37) TSHRCA12CA14MEN1KMT2A
SCHEMBL5814139 0.82 CA12 (0.54) TSHRCA12CA14MEN1KMT2A
SCHEMBL5814134 0.82 CA12 (0.54) TSHRCA12CA14MEN1KMT2A
SCHEMBL21547821 0.81 CA12 (0.39) TSHRCA12CA14MEN1KMT2A
SCHEMBL5812685 0.80 CNR1 (0.44) TSHRCNR1DAGLAMEN1KMT2A

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