SCHEMBL8090839

SCHEMBL8090839

COC(=O)CC1(CC(=O)Cc2ccc(Cl)cc2Cl)CCCC(C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SIGMAR1 Q99720 2/20 0.40
RECQL P46063 1/20 0.39
KMT2A Q03164 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
P2RX7 Q99572 3/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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 0.89 RECQL (0.42) SIGMAR1RECQLKMT2ATRPV1P2RX7
SCHEMBL8094445 0.88 RECQL (0.44) SIGMAR1RECQLKMT2AP2RX7ALDH1A1
SCHEMBL8089309 0.87 RECQL (0.39) SIGMAR1RECQLKMT2ATRPV1P2RX7
SCHEMBL8090779 0.87 KMT2A (0.46) SIGMAR1RECQLKMT2AP2RX7ALDH1A1
SCHEMBL8089318 0.83 RECQL (0.40) SIGMAR1RECQLKMT2AP2RX7ALDH1A1
SCHEMBL8094128 0.82 CYP1A2 (0.44) CYP1A2KMT2AP2RX7ALDH1A1THRB
SCHEMBL8089232 0.82 RECQL (0.40) SIGMAR1RECQLKMT2AP2RX7ALDH1A1
SCHEMBL8090584 0.80 RECQL (0.41) SIGMAR1RECQLKMT2AP2RX7ALDH1A1
SCHEMBL8906817 0.76 KMT2A (0.41) SIGMAR1RECQLKMT2ATRPV1P2RX7
SCHEMBL8089330 0.76 CYP1A2 (0.47) CYP1A2ALDH1A1EPHX2KDM4E

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