SCHEMBL5493454

SCHEMBL5493454

O=C(c1ccc(-c2ccc(F)cc2)cc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.75
POLB P06746 2/20 0.62
MGLL Q99685 1/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL3044364 0.95 HSD11B1 (0.77) HSD11B1POLBMGLLKDM4EGAA
SCHEMBL27453970 0.88 MGLL (0.70) HSD11B1MGLLALDH1A1SMN1; SMN2
SCHEMBL5492171 0.87 HSD11B1 (0.69) HSD11B1POLBMGLLKDM4EGAA
SCHEMBL6236172 0.83 HSD11B1 (1.00) HSD11B1POLBMGLLKDM4EGAA
SCHEMBL6212608 0.81 HSD11B1 (0.74) HSD11B1POLBMGLLKDM4EGAA
SCHEMBL27943800 0.81 HSD11B1 (0.74) HSD11B1POLBMGLLKDM4EGAA
SCHEMBL1720014 0.81 HSD11B1 (1.00) HSD11B1POLBMGLLKDM4EGAA
SCHEMBL2556107 0.80 CPB1 (0.67) HSD11B1MGLLALDH1A1
SCHEMBL6344408 0.80 HSD11B1 (0.72) HSD11B1POLBMGLLKDM4EGAA
SCHEMBL16446847 0.80 KMT2A (0.77) HSD11B1POLBMGLLCYP2D6ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066259-B1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-01-10 EP disclosed
US-6440440-B1 BACTERICIDES, FUNGICIDES, NEMATOCIDES, MITICIDES, INSECTICIDES, AND HERBICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-27 US disclosed
EP-1066259-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP disclosed
WO-1999051578-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-14 WO disclosed