SCHEMBL8905523

SCHEMBL8905523

CC(C)(C)C1CCC(NC(=O)C(Cl)c2ccccc2F)(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.40
FABP4 P15090 3/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP5 Q01469 1/20 0.35
GCGR P47871 2/20 0.35
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 1/20 0.33
ATM Q13315 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 0.32
DPP4 P27487 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
SCHEMBL8906445 0.89 OPRL1 (0.38) OPRL1GLAMEN1KMT2AGCGR
SCHEMBL8907394 0.87 FABP4 (0.38) FABP4MEN1KMT2AFABP5ALDH1A1
SCHEMBL6474098 0.87 MEN1 (0.39) GLAMEN1KMT2AALDH1A1EPHX2
SCHEMBL8907165 0.85 OPRL1 (0.40) OPRL1FABP4MEN1KMT2AFABP5
SCHEMBL8906395 0.84 FABP4 (0.36) OPRL1FABP4MEN1KMT2AFABP5
SCHEMBL8906834 0.84 HDAC4 (0.38) FABP4MEN1KMT2AFABP5ALDH1A1
SCHEMBL8906372 0.82 MEN1 (0.35) OPRL1FABP4MEN1KMT2AFABP5
SCHEMBL8905912 0.79 MEN1 (0.36) FABP4MEN1KMT2AFABP5EPHX2
SCHEMBL8653113 0.78 HTR1E (0.34) GLAGCGRALDH1A1ATMKDM4E
SCHEMBL6482572 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1EPHX2POLB

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