SCHEMBL8089309

SCHEMBL8089309

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
P2RX7 Q99572 7/20 0.39
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 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
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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) RECQLP2RX7SIGMAR1ALDH1A1HTT
SCHEMBL8090839 0.87 CYP1A2 (0.43) RECQLP2RX7SIGMAR1ALDH1A1HTT
SCHEMBL8094445 0.85 RECQL (0.44) RECQLP2RX7SIGMAR1ALDH1A1HTT
SCHEMBL8089318 0.85 RECQL (0.40) RECQLP2RX7SIGMAR1ALDH1A1HTT
SCHEMBL8090779 0.84 KMT2A (0.46) RECQLP2RX7SIGMAR1ALDH1A1HTT
SCHEMBL8089232 0.84 RECQL (0.40) RECQLP2RX7SIGMAR1ALDH1A1HTT
SCHEMBL8090584 0.82 RECQL (0.41) RECQLP2RX7SIGMAR1ALDH1A1HTT
SCHEMBL8094121 0.82 L3MBTL1 (0.34) P2RX7ALDH1A1HTTKMT2AMEN1
SCHEMBL8090778 0.76 TAS1R3 (0.32)
SCHEMBL8907284 0.74 RECQL (0.41) RECQLP2RX7SIGMAR1ALDH1A1HTT

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