SCHEMBL30211339

SCHEMBL30211339

CC(C)CCCCCOC(=O)CCc1ccc2[nH]nnc2c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RY10 O00398 4/20 0.33
GPR34 Q9UPC5 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL673310 1.00 RARB (0.34) RARBALDH1A1KDM4ETDP1P2RY10
SCHEMBL7760527 0.84 CNR2 (0.35) RARBALDH1A1KDM4ETDP1HDAC3
SCHEMBL6999046 0.81 APP (0.37) TDP1P2RY10GPR34PDE1APDE1B
SCHEMBL539016 0.78 APP (0.35) ALDH1A1TDP1P2RY10PDE1APDE1B
SCHEMBL3746000 0.78 PDE1A (0.36) ALDH1A1KDM4ETDP1P2RY10GPR34
SCHEMBL6236497 0.74 APP (0.36) PDE1APDE1BPDE1CMEN1CYP1A2
SCHEMBL5207086 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EP2RY10GPR34MEN1
SCHEMBL2488006 0.73 APP (0.39) ALDH1A1KDM4ETDP1P2RY10PDE1A
SCHEMBL19024678 0.72 TDP1 (0.66) RARBALDH1A1TDP1
SCHEMBL19024903 0.72 TDP1 (0.66) RARBALDH1A1TDP1

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
EP-4139384-A1 ADDITIVE COMPOSITION AND USE THEREOF, CONDENSATION POLYMER COMPOSITION, MOLDING COMPOUND AND MOLDING COMPOUNDS PRODUCED THEREFROM, AND MOLDED PARTS AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-03-01 EP disclosed