SCHEMBL6202384

SCHEMBL6202384

CC(C)O[C](OC(C)C)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9247642 0.78 CA12 (0.68) NPC1RAB9AATMMAPTCES2
SCHEMBL6202385 0.75 CES2 (0.48) NPC1RAB9ACES2CES1KDM4E
SCHEMBL14364962 0.74 CA12 (0.39) NPC1RAB9AATMMAPTCES2
SCHEMBL21991733 0.69 ALDH1A1 (0.58) MAPTKMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL2988614 0.69 MAPT (0.47) NPC1RAB9AATMMAPTCES2
SCHEMBL2984081 0.69 MAPT (0.47) NPC1RAB9AATMMAPTCES2
SCHEMBL4440600 0.69 MAPT (0.47) NPC1RAB9AATMMAPTCES2
SCHEMBL8218460 0.69 CES2 (0.46) NPC1RAB9AMAPTCES2CES1
SCHEMBL3026906 0.67 MAPT (0.49) NPC1RAB9AATMMAPTCES2
SCHEMBL21991732 0.67 MMP2 (0.46) NPC1RAB9AATMMAPTKDM4E

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