SCHEMBL6016728

SCHEMBL6016728

CC(C)C[C@@H](NC(=O)C1(C(=O)N[C@H](CC(C)C)C(C)(C)O)CC1)C(C)(C)O.CC(C)C[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)CC(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CNR2 P34972 2/20 0.30
CNR1 P21554 2/20 0.30

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
SCHEMBL1153730 0.89 CYP3A4 (0.34)
SCHEMBL1153571 0.88 FPR3 (0.39) FPR3FPR2TAS1R3TAS1R1HDAC4
SCHEMBL1153595 0.83 PSEN1 (0.35)
SCHEMBL1153050 0.83 MME (0.34)
SCHEMBL1152986 0.82 MME (0.33)
SCHEMBL1153869 0.82 FPR3 (0.38) FPR3FPR2TAS1R3TAS1R1HDAC4
SCHEMBL1153044 0.82 FPR3 (0.38) FPR3FPR2TAS1R3TAS1R1HDAC4
SCHEMBL3541461 0.80 FPR3 (0.37) FPR3FPR2TAS1R3TAS1R1HDAC4
SCHEMBL1152945 0.80 FPR3 (0.37) FPR3FPR2TAS1R3TAS1R1HDAC4
SCHEMBL1153737 0.74 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed