SCHEMBL27431107

SCHEMBL27431107

C/C(=C/c1ccccc1C)NC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.36
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NAT1 P18440 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 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
SCHEMBL16508642 0.79 ALDH1A1 (0.45) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL14355709 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL28280107 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL257719 0.73 ALDH1A1 (0.52) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL2439824 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL11550271 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL13287298 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL17122439 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL2439822 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHPGDKDM4ETDP1
SCHEMBL7188617 0.70 ALDH1A1 (0.48) ALDH1A1TSHRHPGDKDM4ETDP1

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-2024097296-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed