SCHEMBL26742365

SCHEMBL26742365

CC(C)NC(=O)C(S)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MME P08473 5/20 0.40
▸ ACE P12821 3/20 0.40
▸ CPA1 P15085 2/20 0.40
▸ ACE2 Q9BYF1 2/20 0.40
▸ RNPEP Q9H4A4 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ BMP1 P13497 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
SCHEMBL14355660 0.77 MME (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL9911498 0.77 MME (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL18818920 0.77 TDP1 (0.45) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL15072143 0.77 ACE (0.42) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL19194706 0.77 MME (0.38) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL5471350 0.77 RNPEP (0.56) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL27261261 0.76 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL24259829 0.75 SLC22A6 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL19703836 0.74 ECE1 (0.44) ALDH1A1LMNATDP1MMEGAA
SCHEMBL24270547 0.74 DPP4 (0.44) MME

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-2023215740-A1 IMMUNOMODULATORY ANTIBODY-DRUG CONJUGATES SEAGEN INC. (US) 2023-11-09 — — WO disclosed
Send feedback