SCHEMBL8394261

SCHEMBL8394261

C#Cc1c(C(=O)O)cccc1-c1ccc(C23CC4CC(CC(C4)C2)C3)c(OCOC(C)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.39
RARA P10276 8/20 0.35
RARG P13631 5/20 0.35
RARB P10826 4/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
HSPD1 P10809 1/20 0.35
GOT1 P17174 1/20 0.35
GLRA1 P23415 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR1 P21453 1/20 0.34
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
DHODH Q02127 1/20 0.32
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL8394258 0.84 RARA (0.35) IKBKBRARARARGRARBMEN1
SCHEMBL8457127 0.80 RARB (0.48) IKBKBRARARARGRARBMEN1
Hydrochloric Acid SCHEMBL8458532 0.79 RARB (0.47) IKBKBRARARARGRARBMEN1
SCHEMBL8397880 0.77 RARA (0.48) IKBKBRARARARGRARBMEN1
SCHEMBL8397927 0.76 IKBKB (0.33) IKBKBRARAS1PR1
SCHEMBL8394413 0.76 RARA (0.41) IKBKBRARARARGRARBHDAC11
SCHEMBL8320658 0.76 RARB (0.52) IKBKBRARARARGRARBMEN1
SCHEMBL8396578 0.75 CHEK1 (0.48) MEN1KMT2AHIF1AEPAS1
SCHEMBL8433273 0.74 RARA (0.45) IKBKBRARARARGRARBMEN1
SCHEMBL8399150 0.74 RARA (0.40) 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
US-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed