SCHEMBL8796255

SCHEMBL8796255

COc1cc(C)c(CC(=O)NC2(C)CCC(C(C)C)CC2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CYP3A4 P08684 1/20 0.32
MCHR1 Q99705 1/20 0.32
CACNA1H O95180 1/20 0.32
CTSD P07339 1/20 0.32
ALDH1A1 P00352 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LPAR1 Q92633 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL8796921 0.87 SMN1; SMN2 (0.36) P2RX7HPGDKMT2ASIGMAR1CYP3A4
SCHEMBL7958195 0.86 LMNA (0.33) LMNAL3MBTL1P2RX7HPGDKMT2A
SCHEMBL7961985 0.86 CXCR5 (0.36) LMNAL3MBTL1P2RX7HPGDSIGMAR1
SCHEMBL8796230 0.86 KMT2A (0.34) L3MBTL1P2RX7HPGDKMT2ASIGMAR1
SCHEMBL8796943 0.85 LPAR1 (0.38) LMNAHPGDCYP3A4ALDH1A1RXFP1
SCHEMBL8796407 0.84 ALDH1A1 (0.36) LMNAHPGDKMT2ASIGMAR1CYP3A4
SCHEMBL8796388 0.81 HPGD (0.35) LMNAL3MBTL1P2RX7HPGDKMT2A
Bicarbonate SCHEMBL6996202 0.79 SIGMAR1 (0.42) KMT2ASIGMAR1CYP3A4EPHX2
SCHEMBL8796950 0.78 HPGD (0.37) LMNAL3MBTL1P2RX7HPGDKMT2A
SCHEMBL8906549 0.77 MAPT (0.32) P2RX7LPAR1

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-0754175-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-01-22 EP disclosed