SCHEMBL29064872

SCHEMBL29064872

COCCOCOc1ccc(-c2ccc3c(C)c(C(=O)OC)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.53
RARA P10276 5/20 0.49
RARG P13631 9/20 0.46
RARB P10826 4/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
PGR P06401 1/20 0.46
HSPD1 P10809 1/20 0.46
GOT1 P17174 1/20 0.46
GLRA1 P23415 1/20 0.46
BLM P54132 1/20 0.46
HSPE1 P61604 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC11 Q96DB2 3/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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 0.86 RARB (0.61) RARARARGRARBMEN1NR1I2
SCHEMBL25230655 0.85 IKBKB (0.61) IKBKBRARARARGRARBMEN1
SCHEMBL30428692 0.85 IKBKB (0.61) IKBKBRARARARGRARBMEN1
SCHEMBL29064906 0.84 RARB (0.47) IKBKBRARARARGRARBMEN1
SCHEMBL7929568 0.82 IKBKB (0.48) IKBKBRARARARGRARBMEN1
SCHEMBL7920621 0.81 IKBKB (0.51) IKBKBRARARARGRARBMEN1
SCHEMBL29064885 0.81 RARB (0.55) IKBKBRARARARGRARBMEN1
SCHEMBL20564814 0.79 IKBKB (0.53) IKBKBRARARARGRARBMEN1
SCHEMBL7927677 0.79 IKBKB (0.53) IKBKBRARARARGRARBMEN1
SCHEMBL8767092 0.79 RARB (0.52) IKBKBRARARARGRARBMEN1

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