SCHEMBL5547736

SCHEMBL5547736

COCOc1[c]ccc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PDE2A O00408 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CFTR P13569 1/20 0.30
IDO1 P14902 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL6226618 0.83 L3MBTL1 (0.41) KMT2APDE2AALDH1A1HPGDHSD17B10
SCHEMBL160634 0.81 MAPT (0.36) HTTKDM4EKMT2APDE2AALDH1A1
SCHEMBL160761 0.80 L3MBTL1 (0.37) SMN1; SMN2KDM4EPDE2AALDH1A1HPGD
SCHEMBL8810300 0.80 L3MBTL1 (0.36) KDM4EPDE2AALDH1A1HSD17B10L3MBTL1
SCHEMBL28130967 0.77 PTPN1 (0.31)
SCHEMBL5553179 0.76 KDM4E (0.40) KDM4EPIM1ALDH1A1MAPT
SCHEMBL28088212 0.76 ACHE (0.40) SMN1; SMN2KDM4EPDE2AALDH1A1HPGD
SCHEMBL16395343 0.75 PPARG (0.32) ALDH1A1
SCHEMBL7997628 0.75 PTPN1 (0.35) KMT2AALDH1A1HPGDL3MBTL1MAPT
SCHEMBL5551862 0.74 HTR2C (0.44) IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed