SCHEMBL6682537

SCHEMBL6682537

CC(C)COC(=O)C1C2C=CC(C2)C1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H3 Q13133 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL1196057 0.86 ALDH1A1 (0.49) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5944320 0.83 POLB (0.44) TSHRRAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL13517735 0.80 ALDH1A1 (0.59) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30901541 0.76 POLB (0.42) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5838831 0.75 MAPK1 (0.33) ALDH1A1SMN1; SMN2POLBHTTMAPK1
SCHEMBL31276062 0.73 RAB9A (0.39) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5944104 0.73 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL24465291 0.72 ALDH1A1 (0.39) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1196061 0.70 TDP1 (0.43) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3294119 0.70 POLB (0.46) ALDH1A1SMN1; SMN2POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476788-A2 FLUORINATED MOLECULES AND METHODS OF MAKING AND USING SAME Honeywell International Inc. (US) 2004-11-17 EP claimed
US-20030232276-A1 Polymers derived from fluoroalkyl norbornenes, fluorinated crotonates, and/or fluorinated allyl alcohols; Diels Alder reaction of a fluorinated crotonate with cyclopentadiene to form said norbornene; photoresists; dielectrics, light guides HONEYWELL INTERNATIONAL INC. 2003-12-18 US claimed
WO-2003073169-A2 FLUORINATED MOLECULES AND METHODS OF MAKING AND USING SAME HONEYWELL INTERNATIONAL INC. (US) 2003-09-04 WO claimed
EP-1476788-A2 FLUORINATED MOLECULES AND METHODS OF MAKING AND USING SAME Honeywell International Inc. (US) 2004-11-17 EP disclosed
US-20030232276-A1 Polymers derived from fluoroalkyl norbornenes, fluorinated crotonates, and/or fluorinated allyl alcohols; Diels Alder reaction of a fluorinated crotonate with cyclopentadiene to form said norbornene; photoresists; dielectrics, light guides HONEYWELL INTERNATIONAL INC. 2003-12-18 US disclosed
WO-2003073169-A2 FLUORINATED MOLECULES AND METHODS OF MAKING AND USING SAME HONEYWELL INTERNATIONAL INC. (US) 2003-09-04 WO disclosed