SCHEMBL20122046

SCHEMBL20122046

CNC(=O)CCCOc1ccc(C)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
P2RY12 Q9H244 1/20 0.48
PDK2 Q15119 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.43
STAT3 P40763 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL8325496 0.85 CNR1 (0.52) MAPTALDH1A1LMNAPDE3BPDE3A
SCHEMBL6706308 0.84 TSHR (0.63) LMNAL3MBTL1TSHR
SCHEMBL12036216 0.84 CNR1 (0.48) MAPTALDH1A1LMNAPDE3BPDE3A
SCHEMBL4529316 0.83 ALDH1A1 (0.54) MAPTALDH1A1LMNAPDE3BPDE3A
SCHEMBL14123954 0.83 CNR1 (0.47) MAPTALDH1A1LMNAPDE3BPDE3A
SCHEMBL6321351 0.78 HPGD (0.54) ALDH1A1PDK2HPGDMEN1KMT2A
SCHEMBL14586326 0.78 LMNA (0.49) MAPTALDH1A1LMNAPDE3BPDE3A
SCHEMBL9923769 0.77 HPGD (0.64) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL13784819 0.77 THRA (0.47) MAPTLMNASMN1; SMN2L3MBTL1TSHR
SCHEMBL16480609 0.76 L3MBTL1 (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1

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
US-RE46830-E1 Method for solid phase peptide synthesis POLYPEPTIDE LABORATORIES HOLDING (PPL) AB (SE) 2018-05-08 US disclosed