SCHEMBL22609458

SCHEMBL22609458

CCCOC(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
PPARD Q03181 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
CYP4F2 P78329 4/20 0.35
CYP4A11 Q02928 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
SLC16A3 O15427 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 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
SCHEMBL12647303 0.88 PPARG (0.32) LMNAPPARGPPARAPPARDCYP4F2
SCHEMBL3291432 0.86 ALDH1A1 (0.43) PPARGPPARAPPARDHCAR2CYP4F2
SCHEMBL12945562 0.85 LMNA (0.32) LMNAPPARGPPARAPPARDHCAR2
SCHEMBL254199 0.84 CYP4F2 (0.43) PPARGPPARAPPARDHCAR2CYP4F2
SCHEMBL20936508 0.82 NAAA (0.45) PPARGPPARAPPARDHCAR2CYP4F2
SCHEMBL20915214 0.82 NAAA (0.45) PPARGPPARAPPARDHCAR2CYP4F2
SCHEMBL2785037 0.82 NAAA (0.45) PPARGPPARAPPARDHCAR2CYP4F2
SCHEMBL20915341 0.82 NAAA (0.45) PPARGPPARAPPARDHCAR2CYP4F2
SCHEMBL11240792 0.82 NAAA (0.45) PPARGPPARAPPARDHCAR2CYP4F2
SCHEMBL20936457 0.82 NAAA (0.45) PPARGPPARAPPARDHCAR2CYP4F2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed