SCHEMBL8094078

SCHEMBL8094078

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
P2RX7 Q99572 4/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8094445 0.92 RECQL (0.44) RECQLSIGMAR1ALDH1A1HTTKMT2A
SCHEMBL8089318 0.91 RECQL (0.40) RECQLSIGMAR1ALDH1A1HTTKMT2A
SCHEMBL8090779 0.91 KMT2A (0.46) RECQLSIGMAR1ALDH1A1HTTKMT2A
SCHEMBL8089232 0.90 RECQL (0.40) RECQLSIGMAR1ALDH1A1HTTKMT2A
SCHEMBL8090839 0.89 CYP1A2 (0.43) RECQLTRPV1SIGMAR1ALDH1A1HTT
SCHEMBL8089309 0.89 RECQL (0.39) RECQLTRPV1SIGMAR1ALDH1A1HTT
SCHEMBL8090584 0.88 RECQL (0.41) RECQLSIGMAR1ALDH1A1HTTKMT2A
SCHEMBL8082675 0.80 THRB (0.37) ALDH1A1KMT2AL3MBTL1THRBKDM4E
SCHEMBL8905510 0.76 TRPV1 (0.44) RECQLTRPV1SIGMAR1ALDH1A1HTT
SCHEMBL837451 0.75 ALDH1A1 (0.56) RECQLALDH1A1HTTKMT2AL3MBTL1

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