SCHEMBL17067258

SCHEMBL17067258

CC(=O)N(C)CCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ F13A1 P00488 1/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ TGM1 P22735 1/20 0.50
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ ABCB1 P08183 1/20 0.44

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
SCHEMBL7367495 0.93 ALDH1A1 (0.58) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL25978639 0.89 ALDH1A1 (0.53) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL31697957 0.89 ALDH1A1 (0.53) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL2621482 0.86 ALDH1A1 (0.54) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL25787612 0.86 ALDH1A1 (0.50) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL21348175 0.86 PRSS1 (0.44) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL2724661 0.85 ALDH1A1 (0.53) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL13181407 0.85 LTB4R (0.56) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL553299 0.85 ALDH1A1 (0.53) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL11622571 0.84 ALDH1A1 (0.51) ALDH1A1F13A1TGM2TGM1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173026-A1 ANTIBODY-DRUG CONJUGATES AND USES THEREOF SORRENTO THERAPEUTICS, INC. (US) 2023-09-14 — — WO disclosed
EP-1747021-B1 SELF-IMMOLATIVE LINKERS AND DRUG CONJUGATES SQUIBB & SONS LLC (US) 2015-09-09 — — EP disclosed
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