SCHEMBL6919792

SCHEMBL6919792

CCCCO[C@H]1O[C@H](CN)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 5/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
THPO P40225 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL6918062 0.94 GJB2 (0.36) GJB2CA2CA1CA9KMT2A
SCHEMBL6918658 0.94 GJB2 (0.36) GJB2CA2CA1CA9KMT2A
SCHEMBL6919660 0.94 GJB2 (0.36) GJB2CA2CA1CA9KMT2A
SCHEMBL9157000 0.79 MAPK1 (0.47) GJB2KMT2ALMNACYP1A2THPO
SCHEMBL9153757 0.79 MAPK1 (0.47) GJB2KMT2ALMNACYP1A2THPO
SCHEMBL18714596 0.78 LMNA (0.42) CA2CA1CA9KMT2AALDH1A1
SCHEMBL24645804 0.77 CA2 (0.36) CA2CA1CA9
SCHEMBL6920159 0.77 CA2 (0.36) CA2CA1CA9
SCHEMBL7301263 0.77 CA2 (0.36) CA2CA1CA9
SCHEMBL10135572 0.77 CA2 (0.36) CA2CA1CA9

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
EP-1144425-B1 DERIVATIVES OF MONOSACCHARIDES AS CELL ADHESION INHIBITORS RANBAXY LAB LTD (IN) 2004-06-16 EP disclosed
US-6329344-B1 UREA DERIVATIVE OF ALKYLENE DIOXYFURAN ETHERS RANBAXY LABORATORIES LIMITED (IN) 2001-12-11 US disclosed