SCHEMBL25692017

SCHEMBL25692017

CC1(C)CC(N=C=O)CC(C)(CNC(=O)OCCCCO)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.43
ACHE P22303 13/20 0.39
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23710790 0.92 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRACHEMAPT
SCHEMBL12390255 0.92 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRACHEMEN1
SCHEMBL25797838 0.91 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRACHEMAPT
SCHEMBL10817517 0.90 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRACHEMEN1
SCHEMBL92146 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL25692016 0.86 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRACHE
SCHEMBL17880835 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL13971019 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL1837942 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHR
SCHEMBL10816128 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHR

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-3564282-B1 CURABLE COMPOSITION FOR USE IN A HIGH TEMPERATURE PHOTOPOLYMERISATION METHOD ON A LITHOGRAPHY BASIS AND PROCESS FOR THE PREPARATION OF CROSS-LINKED POLYMERS THEREFROM ALIGN TECHNOLOGY INC (US) 2023-06-07 EP disclosed