SCHEMBL8089232

SCHEMBL8089232

CCC1CCC(CC(=O)Cc2ccc(Cl)cc2Cl)(CC(=O)OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
P2RX7 Q99572 5/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A9 P48067 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8094078 0.90 RECQL (0.42) RECQLSIGMAR1P2RX7ALDH1A1HTT
SCHEMBL8094445 0.89 RECQL (0.44) RECQLSIGMAR1P2RX7ALDH1A1HTT
SCHEMBL8089318 0.88 RECQL (0.40) RECQLSIGMAR1P2RX7ALDH1A1HTT
SCHEMBL8090779 0.88 KMT2A (0.46) RECQLSIGMAR1P2RX7ALDH1A1HTT
SCHEMBL8090584 0.87 RECQL (0.41) RECQLSIGMAR1P2RX7ALDH1A1HTT
SCHEMBL8089309 0.84 RECQL (0.39) RECQLSIGMAR1P2RX7ALDH1A1HTT
SCHEMBL8090839 0.82 CYP1A2 (0.43) RECQLSIGMAR1P2RX7ALDH1A1HTT
SCHEMBL8082664 0.81 P2RX7 (0.35) P2RX7KMT2AMEN1L3MBTL1GAA
SCHEMBL8906981 0.76 RECQL (0.42) RECQLSIGMAR1P2RX7ALDH1A1HTT
SCHEMBL8089299 0.75 P2RX7 (0.32) P2RX7

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-6150304-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-5840661-A HERBICIDES OR INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed