SCHEMBL6204705

SCHEMBL6204705

CCOCCO[CH]c1cccc(OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
APP P05067 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
RELA Q04206 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL6203484 0.88 ALOX15 (0.49) APPRELACYP1A2ALOX15
SCHEMBL6204519 0.79 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL6205129 0.79 NFE2L2 (0.44) CYP3A4MAPK1MAPTRELACYP1A2
SCHEMBL8340935 0.78 RELA (0.40) KDM4EALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL8341640 0.76 RELA (0.39) KDM4EALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL29928402 0.76 MAOA (0.54) KDM4EALDH1A1SMN1; SMN2APPHTT
SCHEMBL8531808 0.76 APP (0.49) KDM4EALDH1A1SMN1; SMN2TP53APP
SCHEMBL21657641 0.76 MAOA (0.54) KDM4EALDH1A1SMN1; SMN2APPHTT
SCHEMBL31491182 0.76 APP (0.49) KDM4EALDH1A1SMN1; SMN2TP53APP
SCHEMBL5247739 0.76 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2TP53CYP3A4

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed