SCHEMBL11809153

SCHEMBL11809153

CCC(C)C(S)CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.43
MME P08473 8/20 0.43
CPA1 P15085 8/20 0.43
ACE2 Q9BYF1 8/20 0.43
TSHR P16473 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP1 P03956 4/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5898803 0.83 MGAM (0.44) ACEMMECPA1ACE2TSHR
SCHEMBL14239656 0.82 TSHR (0.50) TSHRHSD17B10MMP1MGAMGAA
SCHEMBL28718238 0.80 TSHR (0.42) ACEMMECPA1ACE2TSHR
SCHEMBL7631058 0.80 TSHR (0.44) TSHRHSD17B10MMP1MGAMGAA
SCHEMBL10329464 0.77 TSHR (0.41) TSHRHSD17B10MMP1MGAMGAA
SCHEMBL5898819 0.76
SCHEMBL8499849 0.75
SCHEMBL5898830 0.75
SCHEMBL690378 0.75
SCHEMBL5081302 0.74 TSHR (0.50) TSHRHSD17B10MGAMGAASI

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
US-3954843-A ODORANTS, FLAVORANTS GIVAUDAN CORPORATION (US) 1976-05-04 US disclosed
US-3948816-A ODORANTS AND FLAVORANTS GIVAUDAN CORPORATION (US) 1976-04-06 US disclosed