SCHEMBL8906372

SCHEMBL8906372

CC1CCC(NC(=O)C(Cl)c2ccccc2F)(C(=O)O)CC1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 2/20 0.35
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.33
OPRL1 P41146 3/20 0.32
OPRM1 P35372 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.32
BDKRB1 P46663 2/20 0.31
CNR2 P34972 1/20 0.31
HDAC4 P56524 4/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL8906524 0.89 MEN1 (0.36) MEN1KMT2AEPHX2OPRL1OPRM1
SCHEMBL8907394 0.87 FABP4 (0.38) MEN1KMT2AEPHX2FABP4FABP5
SCHEMBL6474841 0.87 LPAR1 (0.37) MEN1KMT2AEPHX2OPRL1OPRM1
SCHEMBL8905912 0.86 MEN1 (0.36) MEN1KMT2AEPHX2FABP4FABP5
SCHEMBL8907165 0.83 OPRL1 (0.40) MEN1KMT2AEPHX2FABP4FABP5
SCHEMBL8905523 0.82 OPRL1 (0.40) MEN1KMT2AEPHX2FABP4FABP5
SCHEMBL8906395 0.82 FABP4 (0.36) MEN1KMT2AEPHX2FABP4FABP5
SCHEMBL8906834 0.82 HDAC4 (0.38) MEN1KMT2AFABP4FABP5ALDH1A1
SCHEMBL8905504 0.79 MEN1 (0.38) MEN1KMT2AEPHX2OPRL1OPRM1
SCHEMBL8654380 0.78 HTR1E (0.34) ALDH1A1MAPTCNR2

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