SCHEMBL26329883

SCHEMBL26329883

CC(C)CCOCCN1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
POLB P06746 2/20 0.41
MGLL Q99685 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
CXCR3 P49682 1/20 0.33
FGF2 P09038 1/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SORT1 Q99523 1/20 0.33
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR7 P34969 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL26196517 0.89 ALDH1A1 (0.43) ALDH1A1HTTPOLBMGLLSMN1; SMN2
SCHEMBL17574699 0.80 ALDH1A1 (0.53) ALDH1A1HTTPOLBMGLLSMN1; SMN2
SCHEMBL26234021 0.76 MGLL (0.71) ALDH1A1HTTMGLLSMN1; SMN2HPGD
SCHEMBL9908375 0.76 ALDH1A1 (0.46) ALDH1A1HTTPOLBMGLLSMN1; SMN2
SCHEMBL26196511 0.76 HTT (0.40) ALDH1A1HTTPOLBMGLLSMN1; SMN2
SCHEMBL17190593 0.76 LMNA (0.39) ALDH1A1POLBMGLLMEN1KMT2A
SCHEMBL26695483 0.76 MGLL (0.47) ALDH1A1HTTPOLBMGLLSMN1; SMN2
SCHEMBL24478565 0.75 MGLL (0.37) ALDH1A1HTTPOLBMGLLSMN1; SMN2
SCHEMBL19761999 0.75 PIK3CD (0.49) POLBMEN1KMT2A
SCHEMBL4741521 0.75 LMNA (0.38) ALDH1A1POLBMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023170608-A1 ACTIVATORS OF EFFECTOR T CELLS ORUM THERAPEUTICS, INC. (KR) 2023-09-14 WO disclosed