SCHEMBL7498448

SCHEMBL7498448

CCC(C)(O)C1CCCCN1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
CCR2 P41597 1/20 0.33

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
SCHEMBL22461930 1.00 FDPS (0.36) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL20833228 0.94 KDM4E (0.41) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL20833322 0.94 KDM4E (0.41) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL7356572 0.82 KDM4E (0.35) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL9340449 0.82 CCR2 (0.35) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL24317161 0.79 CCR2 (0.32) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL22570154 0.79 CCR2 (0.32) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL13930833 0.79 CCR2 (0.32) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL17307730 0.79 CCR2 (0.32) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL16448784 0.79 KDM4E (0.40) FDPSKDM4ENPC1CYP1A2CYP2D6

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-1177797-A9 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
EP-1177797-A1 NOVEL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-06 EP disclosed