SCHEMBL24608172

SCHEMBL24608172

CC(C)OCC(=O)NCCCCCOCCOCCOCCCCCNC=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.44
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TLR2 O60603 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ ADH1B P00325 1/20 0.35
▸ ADH1C P00326 1/20 0.35
▸ ADH1A P07327 1/20 0.35
▸ ADH4 P08319 1/20 0.35
▸ ADH7 P40394 1/20 0.35

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
SCHEMBL24607224 0.99 EPHX2 (0.43) EPHX2LMNAALDH1A1KMT2AFAAH
SCHEMBL25466978 0.91 FAAH (0.42) LMNAALDH1A1KMT2AFAAHTSHR
SCHEMBL23945202 0.91 FAAH (0.42) LMNAALDH1A1KMT2AFAAHTSHR
SCHEMBL25591306 0.90 ALDH1A1 (0.42) LMNAALDH1A1KMT2AFAAHTSHR
SCHEMBL25467143 0.88 EPHX2 (0.39) EPHX2LMNAALDH1A1KMT2AFAAH
SCHEMBL24508250 0.86 KDM4E (0.47) EPHX2LMNAALDH1A1KMT2AFAAH
SCHEMBL22906477 0.86 FAAH (0.53) EPHX2KMT2AFAAHTSHRRECQL
SCHEMBL22790739 0.86 FAAH (0.53) EPHX2KMT2AFAAHTSHRRECQL
SCHEMBL22790646 0.86 KDM4E (0.47) EPHX2LMNAALDH1A1KMT2AFAAH
SCHEMBL23559960 0.86 KMT2A (0.50) EPHX2LMNAALDH1A1KMT2AFAAH

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
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 — — WO disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 — — WO disclosed
Send feedback