SCHEMBL8907272

SCHEMBL8907272

CCOC(=O)C1(NC(=O)Cc2ccc(Cl)cc2Cl)CCC(CC)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PTGER4 P35408 1/20 0.40
P2RX7 Q99572 8/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 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
SCHEMBL8654342 0.92 P2RX7 (0.36) PTGER4P2RX7
SCHEMBL8906981 0.92 RECQL (0.42) SIGMAR1P2RX7KMT2AMEN1ALDH1A1
SCHEMBL6474811 0.90 MEN1 (0.42) SIGMAR1P2RX7KMT2AMEN1ALDH1A1
SCHEMBL7132879 0.90 MAPK1 (0.37) P2RX7KMT2AMEN1RECQL
SCHEMBL27535978 0.88 SMN1; SMN2 (0.39) SIGMAR1PTGER4KMT2AMEN1ALDH1A1
SCHEMBL8906080 0.87 SHMT1 (0.48) SIGMAR1P2RX7KMT2AERCC1ERCC4
SCHEMBL5492364 0.85 OPRM1 (0.34) KMT2AMEN1ALDH1A1L3MBTL1SLC6A2
SCHEMBL5929427 0.84 P2RX7 (0.39) P2RX7KMT2AMEN1
SCHEMBL8657268 0.84 P2RX7 (0.41) P2RX7ALDH1A1
SCHEMBL8650622 0.84 P2RX7 (0.37) SIGMAR1PTGER4P2RX7RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed