SCHEMBL24587745

SCHEMBL24587745

CCN(CC)CCCSC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.42
MAPT P10636 1/20 0.41
SLC2A1 P11166 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CHRM1 P11229 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOB P27338 3/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL10582483 0.86 MAPT (0.47) PAOXMAPTSLC2A1CYP2C19POLB
SCHEMBL26719498 0.81 CYP2C19 (0.43) PAOXCYP2C19POLBBLMATM
SCHEMBL26564664 0.78 CHRM1 (0.44) PAOXMAPTSLC2A1ALDH1A1CHRM1
SCHEMBL16061075 0.77 CPB2 (0.42) PAOXMAPTALDH1A1CHRM1CHRM2
SCHEMBL16061073 0.77 CPB2 (0.42) PAOXMAPTALDH1A1CHRM1CHRM2
SCHEMBL10582700 0.77 ALDH1A1 (0.54) PAOXCYP2C19POLBBLMATM
SCHEMBL18032804 0.76 CYP2C19 (0.41) CYP2C19POLBBLMATMALDH1A1
SCHEMBL27822244 0.75 CYP2C19 (0.55) MAPTCYP2C19POLBBLMATM
SCHEMBL7908937 0.75 CYP2C19 (0.55) CYP2C19POLBBLMATMALDH1A1
SCHEMBL2736682 0.74

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-2022140252-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. (US) 2022-06-30 WO disclosed