SCHEMBL8907113

SCHEMBL8907113

COC(=O)C1(NC(=O)Cc2ccc(Cl)cc2Cl)CCCCC1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
P2RX7 Q99572 9/20 0.40
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8652620 0.91 NPC1 (0.37) KMT2AALDH1A1MEN1L3MBTL1P2RX7
SCHEMBL8655033 0.91 SMN1; SMN2 (0.40) KMT2AALDH1A1P2RX7
SCHEMBL6475785 0.90 MEN1 (0.45) KMT2AALDH1A1MEN1KDM4E
SCHEMBL6475250 0.90 MEN1 (0.45) KMT2AALDH1A1HTTMEN1THRB
SCHEMBL8907562 0.89 SIGMAR1 (0.44) KMT2ASIGMAR1P2RX7EPHX2
SCHEMBL8906967 0.82 L3MBTL1 (0.40) KMT2AALDH1A1MEN1L3MBTL1P2RX7
SCHEMBL8907139 0.81 KMT2A (0.47) KMT2AALDH1A1MEN1THRBL3MBTL1
SCHEMBL6481367 0.81 MEN1 (0.45) KMT2AALDH1A1MEN1KDM4E
SCHEMBL6475230 0.81 MEN1 (0.45) KMT2AALDH1A1HTTMEN1THRB
SCHEMBL29218412 0.81 KMT2A (0.46) KMT2AALDH1A1HTTMEN1THRB

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-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed