SCHEMBL7669258

SCHEMBL7669258

CC(C)(C)OC(=O)N1CCCCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
MPO P05164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47
MAPT P10636 2/20 0.44
GPR119 Q8TDV5 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
TRIM24 O15164 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
DHODH Q02127 1/20 0.40
NR3C1 P04150 1/20 0.40
TACR1 P25103 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL6752845 0.96 NOTUM (0.59) NOTUMMPOKDM4EBRD4MAPT
SCHEMBL18216843 0.86 KDM4E (0.53) NOTUMMPOKDM4EBRD4GPR119
SCHEMBL7668576 0.83 PDK1 (0.56) NOTUMMPOKDM4EBRD4MAPT
SCHEMBL18109844 0.82 ABHD6 (0.53) MPOKDM4EBRD4GPR119HSD17B10
SCHEMBL3530939 0.82 NOTUM (0.44) NOTUMMPOKDM4EBRD4MAPT
SCHEMBL7382818 0.82 NOTUM (0.62) NOTUMKDM4EMAPTHTR2AHTR2C
SCHEMBL30767099 0.81 NOTUM (0.59) NOTUMKDM4EMAPTHTR2AHTR2C
SCHEMBL5696394 0.81 NOTUM (0.59) NOTUMKDM4EMAPTHTR2AHTR2C
SCHEMBL31552767 0.81 NOTUM (0.55) NOTUMMPOKDM4EBRD4GPR119
SCHEMBL4691685 0.81 NOTUM (0.55) NOTUMMPOKDM4EBRD4GPR119

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
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed