SCHEMBL29008667

SCHEMBL29008667

O=C(O)c1cc(C(F)(F)F)nn1CCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 7/20 0.76
SORT1 Q99523 7/20 0.76
KLKB1 P03952 4/20 0.52
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
KDM4E B2RXH2 1/20 0.43
CTSL P07711 1/20 0.43
CARM1 Q86X55 2/20 0.41

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
SCHEMBL24283549 0.86 GRN (1.00) GRNSORT1KDM4E
SCHEMBL4134838 0.86 GRN (0.74) GRNSORT1KLKB1POLBTSHR
SCHEMBL10447771 0.80 GRN (0.51) GRNSORT1KLKB1POLBTSHR
SCHEMBL28943994 0.77 CNR1 (0.50) GRNSORT1KLKB1POLBTSHR
SCHEMBL24283490 0.77 GRN (0.67) GRNSORT1POLBKDM4EMEN1
SCHEMBL29478786 0.76 SORT1 (0.57) GRNSORT1KLKB1POLBTSHR
SCHEMBL22637715 0.76 SORT1 (0.57) GRNSORT1KLKB1POLBTSHR
SCHEMBL950947 0.76 GRN (0.49) GRNSORT1KLKB1POLBTSHR
SCHEMBL22637837 0.76 GRN (0.51) GRNSORT1KLKB1POLBTSHR
SCHEMBL22637870 0.76 TP53 (0.50) GRNSORT1KLKB1POLBTSHR

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-115836062-A Compound and medical application thereof 心悦生医股份有限公司 2023-03-21 CN disclosed