SCHEMBL29064906

SCHEMBL29064906

C#CCOc1ccc(-c2ccc3c(C)c(C(=O)OC)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.47
RARG P13631 8/20 0.47
RARA P10276 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
HSPD1 P10809 1/20 0.47
GOT1 P17174 1/20 0.47
GLRA1 P23415 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC11 Q96DB2 4/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3802931 0.87 RARB (0.61) RARBRARGRARAMEN1KMT2A
SCHEMBL29064872 0.84 IKBKB (0.53) RARBRARGRARAMEN1KMT2A
SCHEMBL7077350 0.84 RARB (0.61) RARBRARGRARAMEN1KMT2A
SCHEMBL29064885 0.82 RARB (0.55) RARBRARGRARAMEN1KMT2A
SCHEMBL8767092 0.80 RARB (0.52) RARBRARGRARAMEN1KMT2A
SCHEMBL980532 0.78 RARB (0.69) RARBRARGRARAMEN1KMT2A
SCHEMBL30153290 0.78 RARG (0.70) RARBRARGRARAMEN1KMT2A
SCHEMBL163779 0.78 RARG (0.70) RARBRARGRARAMEN1KMT2A
SCHEMBL8765803 0.78 RARB (0.52) RARBRARGRARAMEN1KMT2A
SCHEMBL30817478 0.77 RARB (0.49) RARBRARGRARAMEN1KMT2A

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-116710080-A Compounds for treatment of hemophilia 格勒诺布尔大学 2023-09-05 CN disclosed