SCHEMBL8905912

SCHEMBL8905912

CC1CCCC(NC(=O)C(Cl)c2ccccc2F)(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FABP4 P15090 5/20 0.36
FABP5 Q01469 3/20 0.36
EPHX2 P34913 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CXCR5 P32302 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
SCHEMBL8906514 0.89 MEN1 (0.38) MEN1KMT2AEPHX2
SCHEMBL6474520 0.87 LPAR1 (0.40) MEN1KMT2AEPHX2GAA
SCHEMBL8907394 0.86 FABP4 (0.38) MEN1KMT2AFABP4FABP5EPHX2
SCHEMBL8906372 0.86 MEN1 (0.35) MEN1KMT2AFABP4FABP5EPHX2
SCHEMBL8907165 0.80 OPRL1 (0.40) MEN1KMT2AFABP4FABP5EPHX2
SCHEMBL8905523 0.79 OPRL1 (0.40) MEN1KMT2AFABP4FABP5EPHX2
SCHEMBL8906395 0.79 FABP4 (0.36) MEN1KMT2AFABP4FABP5EPHX2
SCHEMBL8906834 0.79 HDAC4 (0.38) MEN1KMT2AFABP4FABP5GAA
SCHEMBL8652084 0.79 HTR1E (0.36) SMN1; SMN2
SCHEMBL6483569 0.78 ALDH1A1 (0.37) MEN1KMT2AEPHX2GAASMN1; SMN2

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