SCHEMBL22326257

SCHEMBL22326257

O=C(O)NCCCCCCCCOCCCCCCCl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A2 O94788 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH1A3 P47895 1/20 0.36
EPHX2 P34913 10/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
PRMT1 Q99873 1/20 0.35
ACHE P22303 2/20 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
SCHEMBL26969211 0.91 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CYP2C19FAAHEPHX2
SCHEMBL21977402 0.91 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CYP2C19FAAHEPHX2
SCHEMBL9901325 0.91 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CYP2C19FAAHEPHX2
SCHEMBL5792677 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2FAAHALDH1A2ALDH2
SCHEMBL9901593 0.86 FAAH (0.49) ALDH1A1SMN1; SMN2FAAHEPHX2
Hydrochloric Acid SCHEMBL11162968 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2FAAHALDH1A2ALDH2
SCHEMBL935367 0.85
SCHEMBL21070920 0.82 MEN1 (0.45) CYP2C19EPHX2MAPK1ACHE
SCHEMBL22207944 0.82 TSHR (0.38) ALDH1A1SMN1; SMN2CYP2C19FAAHEPHX2
SCHEMBL16147093 0.82 TSHR (0.38) ALDH1A1SMN1; SMN2CYP2C19FAAHEPHX2

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-3922632-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2021-12-15 EP disclosed
WO-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO disclosed