SCHEMBL4740476

SCHEMBL4740476

CCNCCNC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAD52 P43351 1/20 0.41
CXCR4 P61073 7/20 0.40
CXCL12 P48061 1/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
SAT1 P21673 1/20 0.39
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11232535 0.98 RAD52 (0.44) CYP2C19CYP1A2CYP2D6RAD52CXCR4
SCHEMBL18236766 0.90
SCHEMBL11519285 0.85 RAD52 (0.47) CYP2C19CYP1A2CYP2D6RAD52CXCR4
SCHEMBL11522705 0.85 RAD52 (0.47) CYP2C19CYP1A2CYP2D6RAD52CXCR4
SCHEMBL20052077 0.85 CXCR4 (0.58) CYP2C19CYP1A2CXCR4CXCL12SAT1
SCHEMBL24096072 0.82 SAT1 (0.39) CYP2C19CYP1A2CYP2D6RAD52CXCR4
SCHEMBL11522649 0.82 RAD52 (0.50) RAD52CXCR4CXCL12KDM4EALDH1A1
SCHEMBL4741840 0.82 RAD52 (0.50) RAD52CXCR4CXCL12KDM4EALDH1A1
SCHEMBL17710342 0.82 RAD52 (0.50) RAD52CXCR4CXCL12KDM4EALDH1A1
SCHEMBL11437977 0.82 KDM4E (0.44) CYP2C19CYP1A2CYP2D6RAD52CXCR4

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-2008092681-A1 GHRELIN RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2008-08-07 WO disclosed