SCHEMBL22907830

SCHEMBL22907830

CC#Cc1cc(C)c(C2C(=O)CC3(CCCN(C(=O)OC(C)(C)C)CC3)CC2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.39
ACACB O00763 5/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MMP13 P45452 3/20 0.36
ADAM17 P78536 3/20 0.36
MMP2 P08253 2/20 0.36
MMP14 P50281 2/20 0.36
GPR119 Q8TDV5 7/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL21273942 0.96 GPR183 (0.41) GPR183ACACBKDM4EMAPTTHRB
Hexane SCHEMBL22345615 0.91 GPR119 (0.38) GPR183ACACBMMP13ADAM17GPR119
SCHEMBL23748398 0.86 GPR183 (0.38) GPR183ACACBKDM4EMAPTTHRB
SCHEMBL22992227 0.85 GRM5 (0.42) MEN1KMT2A
SCHEMBL22907757 0.84 CYP2D6 (0.35) MEN1KMT2A
SCHEMBL21344641 0.84 ACACB (0.42) ACACBKDM4EMAPTTHRBGPR119
SCHEMBL22941742 0.83 GPR183 (0.36) GPR183ACACBKDM4EMAPTTHRB
SCHEMBL21285098 0.83 EPHX2 (0.32)
SCHEMBL21343723 0.82 BTK (0.30)
SCHEMBL22992145 0.82 GAA (0.33)

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-2021009232-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-01-21 WO disclosed