SCHEMBL21997572

SCHEMBL21997572

CC(NC(=O)O)C1(C#N)CCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.34
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 1/20 0.30
MME P08473 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
SCHEMBL840862 0.69 ALDH1A1 (0.37) ALDH1A1CTSKMME
SCHEMBL12908851 0.68
SCHEMBL21998138 0.67 MME (0.33) LMNAHPGDALDH1A1MME
SCHEMBL17294312 0.66 TP53 (0.32) ALDH1A1MAPT
SCHEMBL840305 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3817810 0.64 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10177532 0.64 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3362836 0.63 TRPA1 (0.35) CTSLLMNAHPGD
SCHEMBL3741243 0.63 HRH3 (0.33)
SCHEMBL2862634 0.63 ALDH1A1 (0.34) LMNAALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed