SCHEMBL30513822

SCHEMBL30513822

C=CCC(=O)Nc1ccccc1SC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CETP P11597 2/20 0.47
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HTT P42858 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ATM Q13315 2/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 1/20 0.37

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
SCHEMBL11353345 0.79 CETP (0.55) L3MBTL1HPGDCETPLMNANPSR1
SCHEMBL11359720 0.78 CETP (0.54) L3MBTL1HPGDCETPLMNANPSR1
SCHEMBL11360737 0.78 CETP (0.54) L3MBTL1HPGDCETPLMNANPSR1
SCHEMBL30513820 0.78 MAPT (0.52) L3MBTL1HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL11367064 0.76 CETP (0.51) L3MBTL1HPGDCETPLMNANPSR1
SCHEMBL28278987 0.76 TDP1 (0.56) L3MBTL1HPGDCETPNPSR1HTT
SCHEMBL28693497 0.74 CETP (0.48) L3MBTL1HPGDCETPLMNAHTT
SCHEMBL30513805 0.74 ALDH1A1 (0.67) L3MBTL1HPGDLMNANPSR1HTT
SCHEMBL30513842 0.73 CETP (0.44) L3MBTL1HPGDCETPLMNANPSR1
SCHEMBL11135952 0.68 HDAC3 (0.60) —

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
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 — — CN disclosed
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