SCHEMBL8905504

SCHEMBL8905504

COC(=O)C1(NC(=O)C(Cl)c2ccccc2F)CCC(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
BDKRB1 P46663 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
NPC1 O15118 1/20 0.33
MC4R P32245 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL8907201 0.90 HDAC4 (0.38) MEN1KMT2ABDKRB1CHRNB2CHRNB4
SCHEMBL8906890 0.89 OPRL1 (0.39) MEN1KMT2ABDKRB1EPHX2CHRNB2
SCHEMBL6483520 0.88 GAA (0.42) MEN1KMT2AEPHX2NPC1HPGD
SCHEMBL8907394 0.88 FABP4 (0.38) MEN1KMT2ATRPV1EPHX2NPC1
SCHEMBL8906445 0.88 OPRL1 (0.38) MEN1KMT2ABDKRB1EPHX2CHRNB2
SCHEMBL8906897 0.88 MEN1 (0.36) MEN1KMT2ABDKRB1EPHX2CHRNB2
SCHEMBL8906524 0.88 MEN1 (0.36) MEN1KMT2ABDKRB1EPHX2CHRNB2
SCHEMBL8906514 0.87 MEN1 (0.38) MEN1KMT2ABDKRB1EPHX2CHRNB2
SCHEMBL8907739 0.79 MEN1 (0.40) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL6475347 0.79 GAA (0.42) MEN1KMT2AEPHX2NPC1ALDH1A1

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