SCHEMBL21344641

SCHEMBL21344641

Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)OC(C)(C)C)CC3)CC2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.42
EPHX2 P34913 2/20 0.41
GPR119 Q8TDV5 6/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SPR P35270 1/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL21285092 0.91 GPR119 (0.42) ACACBGPR119KDM4EMAPTTHRB
SCHEMBL21273942 0.87 GPR183 (0.41) ACACBGPR119KDM4EMAPTTHRB
SCHEMBL21361282 0.85 HDAC2 (0.53) ACACBGPR119HDAC1HDAC2MEN1
SCHEMBL22907830 0.84 GPR183 (0.39) ACACBGPR119KDM4EMAPTTHRB
SCHEMBL22908413 0.83 ACACB (0.38) ACACBGPR119KDM4EMAPTTHRB
SCHEMBL22908416 0.83 DPP4 (0.40) ACACBGPR119NAMPT
SCHEMBL21361221 0.83 USP2 (0.40) MEN1KMT2A
SCHEMBL21343876 0.80 MGLL (0.33) NAMPT
SCHEMBL21343740 0.80 MEN1 (0.36) MEN1KMT2A
SCHEMBL21344745 0.80 FFAR4 (0.32)

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