SCHEMBL21998138

SCHEMBL21998138

CC(NC(=O)O)C1(CN)CCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
LTA4H P09960 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
CYP2D6 P10635 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
SCHEMBL7250466 0.70 CYP1A2 (0.40) ALDH1A1CYP1A2TSHR
SCHEMBL1643331 0.69 USP2 (0.42) MMEALDH1A1LMNAUSP2CYP1A2
SCHEMBL15730431 0.68
SCHEMBL21997572 0.67 CTSL (0.34) MMEALDH1A1LMNAHPGD
Ethylenediamine SCHEMBL1929819 0.66 GABRR1 (0.42) ALDH1A1LMNATSHRCACNA2D1HPGD
Ethylenediamine SCHEMBL1929817 0.66 GABRR1 (0.42) ALDH1A1LMNATSHRCACNA2D1HPGD
SCHEMBL6519091 0.66
SCHEMBL27647180 0.64 USP2 (0.45) MMEALDH1A1LMNAUSP2CYP1A2
SCHEMBL22338035 0.64
SCHEMBL15730444 0.64

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