SCHEMBL4590805

SCHEMBL4590805

CC1(C)C2CCC1(C)C(CCOCCC1CC3CCC1(C)C3(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.40
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 3/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL6938983 0.81 CXCR3 (0.42) CXCR3ALDH1A1EPHX2LMNAKMT2A
SCHEMBL27823072 0.79 CXCR3 (0.44) CXCR3ALDH1A1EPHX2LMNA
SCHEMBL17222375 0.79 CXCR3 (0.44) CXCR3ALDH1A1EPHX2LMNA
SCHEMBL26720366 0.79 CXCR3 (0.41) CXCR3ALDH1A1EPHX2LMNAKDM4E
SCHEMBL27767332 0.79 CXCR3 (0.41) CXCR3ALDH1A1EPHX2LMNA
SCHEMBL14117948 0.79 CXCR3 (0.35) CXCR3ALDH1A1EPHX2LMNAKMT2A
SCHEMBL14094019 0.78 CXCR3 (0.36) CXCR3ALDH1A1EPHX2LMNAKMT2A
SCHEMBL11965856 0.76 CXCR3 (0.40) CXCR3ALDH1A1EPHX2LMNAKDM4E
SCHEMBL20312888 0.76 CXCR3 (0.48) CXCR3ALDH1A1EPHX2LMNA
SCHEMBL4436660 0.76 CXCR3 (0.44) CXCR3ALDH1A1EPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853644-B1 COPOLYMER OF PROPYLENE OR ETHYLENE OXIDE AND OF AN OXIRANE BEARING AN IONIC GROUP BATSCAP SA (FR) 2008-06-18 EP disclosed
EP-1853644-A1 COPOLYMER OF PROPYLENE OR ETHYLENE OXIDE AND OF AN OXIRANE BEARING AN IONIC GROUP Batscap (FR) 2007-11-14 EP disclosed
WO-2006087449-A1 COPOLYMER OF PROPYLENE OR ETHYLENE OXIDE AND OF AN OXIRANE BEARING AN IONIC GROUP BATSCAP (FR) 2006-08-24 WO disclosed