SCHEMBL7850398

SCHEMBL7850398

C[C@](CCCN)(C(=O)NCCCc1ccccc1)N(OC(=O)C(F)(F)F)C(=O)[C@@H](N)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MMP8 P22894 3/20 0.39
MLYCD O95822 2/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRK1 P41145 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 1/20 0.34
EPHX2 P34913 2/20 0.34

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
SCHEMBL7859201 0.96 POLB (0.41) POLBMMP8MLYCDCHRNB2CHRNB4
SCHEMBL7857950 0.91 RAB9A (0.38) POLBMMP8KMT2AOPRK1MMP1
SCHEMBL7859250 0.91 PLAAT3 (0.38) POLBMMP8OPRK1MMP1MMP3
SCHEMBL7857056 0.90 POLB (0.34) POLBOPRK1MMP1MMP3MMP9
SCHEMBL7859124 0.80 MMP2 (0.37)
SCHEMBL7859114 0.77 POLB (0.40) POLBMMP8MLYCDCHRNB2CHRNB4
SCHEMBL7850354 0.77 MC4R (0.47) MMP8MMP9
SCHEMBL8175675 0.77 OPRM1 (0.34) POLBKMT2AOPRK1LMNA
SCHEMBL7857961 0.76 POLB (0.42) POLBMMP8MLYCDCYP2D6CYP2C9
SCHEMBL7857902 0.76 MLYCD (0.43) POLBMMP8MLYCDCHRNB2CHRNB4

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-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed