SCHEMBL31069899

SCHEMBL31069899

C=C(C)C(=O)OC(F)(F)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.38
ELANE P08246 1/20 0.36
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ACHE P22303 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
EDNRB P24530 1/20 0.32

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
SCHEMBL14827334 0.84 KCNN4 (0.38) KCNN4ELANEKCNE1KCNQ1ATM
SCHEMBL183738 0.79 CES2 (0.34) CES2CES1ALDH1A1
SCHEMBL7633823 0.78 ELANE (0.42) KCNN4ELANEATMTDP1CES2
SCHEMBL10584097 0.77 ELANE (0.38) ELANEATMTDP1PDK1PDK2
Methacrylic Acid SCHEMBL7183113 0.75 ELANE (0.41) KCNN4ELANEATMTDP1CES2
SCHEMBL717323 0.74 ELANE (0.36) ELANEATMTDP1MAOAMAOB
SCHEMBL14827332 0.74 LMNA (0.40) ELANEATMTDP1MAOAMAOB
SCHEMBL28282211 0.74 TDP1 (0.42) ELANEATMTDP1KMT2AALDH1A1
SCHEMBL14648216 0.71 ELANE (0.42) KCNN4ELANEATMTDP1CES1
SCHEMBL27496577 0.71 CYP2C19 (0.43) KCNN4ELANEATMTDP1CES1

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
CN-113406827-B Photo-alignable objects 罗利克有限公司 2024-08-30 CN disclosed