SCHEMBL935052

SCHEMBL935052

CCOC(CCCNC1CCCCC1)OCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
CXCR4 P61073 10/20 0.39
CXCL12 P48061 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX1 P07099 2/20 0.35

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
SCHEMBL28005414 0.82 KDM4E (0.32) KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL934393 0.82 KDM4E (0.41) KDM4ECXCR4CXCL12ALDH1A1
SCHEMBL24976741 0.81 HSD11B1 (0.32)
SCHEMBL17373495 0.81 KDM4E (0.36) KDM4ECXCR4CXCL12ALDH1A1CYP1A2
SCHEMBL934315 0.78 KDM4E (0.50) KDM4EALDH1A1CYP1A2CYP2D6EPHX1
SCHEMBL11057880 0.77 CXCR4 (0.42) KDM4ECXCR4CXCL12CYP1A2CYP2D6
SCHEMBL7058555 0.76 CXCR4 (0.44) KDM4ECXCR4CXCL12ALDH1A1CYP1A2
SCHEMBL3700273 0.76 KDM4E (0.37) KDM4ECXCR4CXCL12ALDH1A1CYP1A2
SCHEMBL1129382 0.74 CXCR4 (0.40) KDM4ECXCR4CXCL12CYP1A2CYP2D6
SCHEMBL11409460 0.74 CXCR4 (0.40) KDM4ECXCR4CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011006808-A1 CROSS-LINKABLE ORGANOSILICON-BASED COMPOSITIONS WACKER CHEMIE AG (DE) 2011-01-20 WO disclosed