SCHEMBL25950226

SCHEMBL25950226

CCC(C)(COCC(F)(F)C(F)(F)F)COC(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
ESR1 P03372 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 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
SCHEMBL25950207 0.89 TDP1 (0.40) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL25950158 0.84 LMNA (0.45) PDK1PDK2PDK3PDK4GAA
SCHEMBL25950164 0.84 LMNA (0.45) PDK1PDK2PDK3PDK4GAA
SCHEMBL13064844 0.81 NPC1 (0.59) KMT2AGAARAB9ANPC1MAPT
SCHEMBL25950210 0.81 LMNA (0.46) PDK1PDK2PDK3PDK4GAA
SCHEMBL25950124 0.79 RAB9A (0.40) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL21185910 0.77 TDP1 (0.52) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL25950171 0.76 ADRB2 (0.37) PDK1PDK2PDK3PDK4GAA
SCHEMBL25950231 0.75 CYP3A4 (0.42) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL25950143 0.74 LMNA (0.47) GAARAB9ANPC1MAPTALDH1A1

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-11725079-B2 Polyimide compositions and articles incorporating the same THE BOEING COMPANY (US) 2023-08-15 US disclosed