SCHEMBL8094445

SCHEMBL8094445

COC(=O)CC1(CC(=O)Cc2ccc(Cl)cc2Cl)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
KMT2A Q03164 3/20 0.44
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL8090779 0.99 KMT2A (0.46) RECQLKMT2ASIGMAR1ALDH1A1HTT
SCHEMBL8094078 0.92 RECQL (0.42) RECQLKMT2ASIGMAR1ALDH1A1HTT
SCHEMBL8089318 0.90 RECQL (0.40) RECQLKMT2ASIGMAR1ALDH1A1HTT
SCHEMBL8089232 0.89 RECQL (0.40) RECQLKMT2ASIGMAR1ALDH1A1HTT
SCHEMBL8090839 0.88 CYP1A2 (0.43) RECQLKMT2ASIGMAR1ALDH1A1HTT
SCHEMBL8090584 0.87 RECQL (0.41) RECQLKMT2ASIGMAR1ALDH1A1HTT
SCHEMBL8089309 0.85 RECQL (0.39) RECQLKMT2ASIGMAR1ALDH1A1HTT
SCHEMBL8094219 0.79 L3MBTL1 (0.42) KMT2AALDH1A1L3MBTL1KDM4EP2RX7
SCHEMBL837451 0.78 ALDH1A1 (0.56) RECQLKMT2AALDH1A1HTTL3MBTL1
SCHEMBL8089333 0.78 L3MBTL1 (0.42) KMT2AALDH1A1L3MBTL1MEN1KDM4E

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