SCHEMBL21344733

SCHEMBL21344733

CCC(C)(C)NC(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(C)cc1C)C(=O)C2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAMPT P43490 1/20 0.32
HPGD P15428 1/20 0.32
FFAR4 Q5NUL3 1/20 0.30
GAA P10253 1/20 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
SCHEMBL22992078 0.88 KDM4E (0.31) KDM4EALDH1A1TSHRHSD17B10
SCHEMBL21361221 0.79 USP2 (0.40) ALDH1A1TSHRHSD17B10HPGD
SCHEMBL21343740 0.78 MEN1 (0.36) ALDH1A1TSHRHPGDFFAR4
SCHEMBL21344751 0.78 CSNK1E (0.32)
SCHEMBL21343905 0.78 FFAR4 (0.32) ALDH1A1TSHRFFAR4
SCHEMBL21344641 0.78 ACACB (0.42) KDM4ENAMPT
SCHEMBL21343678 0.77 CSNK1D (0.33) NAMPT
SCHEMBL21344745 0.76 FFAR4 (0.32) FFAR4
SCHEMBL21343876 0.76 MGLL (0.33) NAMPTFFAR4
SCHEMBL24426540 0.76 MEN1 (0.33) ALDH1A1TSHRHSD17B10

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
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed