SCHEMBL29953723

SCHEMBL29953723

Cc1cccc(SCC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.41
ACHE P22303 3/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
DHFR P00374 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL6057139 0.81 TP53 (0.44) TERTACHEMAPTNPSR1ALDH1A1
SCHEMBL8284593 0.79 ACHE (0.39) TERTACHEMAPTHTTALDH1A1
SCHEMBL6871053 0.79 ACHE (0.39) TERTACHEALDH1A1MAOAMAOB
SCHEMBL8295933 0.78 ACHE (0.38) TERTACHEMAPTHTTALDH1A1
SCHEMBL11098422 0.78 ACHE (0.43) TERTACHEMAPTHTTHPGD
SCHEMBL28367550 0.77 ACHE (0.50) ACHEMAPTHTTHPGDALDH1A1
SCHEMBL30753697 0.77 ALDH1A1 (0.50) ACHEMAPTHTTHPGDALDH1A1
SCHEMBL21183204 0.77 TYR (0.40) MAPTHTTHPGDALDH1A1MAOA
SCHEMBL911004 0.77 MTNR1A (0.52) TERTACHEMAOAMAOBCYP1A2
SCHEMBL10144174 0.76 ACHE (0.44) ACHEHPGDALDH1A1MAOAMAOB

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed