SCHEMBL25564664

SCHEMBL25564664

C=C(C)C(=O)OC1(c2cc(F)cc(F)c2)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
HDAC4 P56524 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL25564661 0.86 SLC6A4 (0.41) HDAC3HDAC1HDAC2HDAC6CHRNA1
SCHEMBL25564653 0.85 HSD11B1 (0.41) SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL25564135 0.84 DRD2 (0.37) HDAC3HDAC1HDAC2HDAC6CHRNA1
SCHEMBL25564671 0.84 SLC6A3 (0.43) SLC6A3HDAC4MAPTSMN1; SMN2
SCHEMBL25564667 0.84 HSD11B1 (0.43) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL25564311 0.83 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6CHRNA1
SCHEMBL25564232 0.83 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6CHRNA1
SCHEMBL25564314 0.83 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6CHRNA1
SCHEMBL25140029 0.81 SLC6A3 (0.40) HDAC3HDAC1HDAC2HDAC6CHRNA1
SCHEMBL13347349 0.78 AKR1C1 (0.43) HDAC4KMT2A

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-20230161254-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed