SCHEMBL27439043

SCHEMBL27439043

CCc1ccc(COC(=O)N(C)CCCN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.48
▸ TPSAB1 Q15661 1/20 0.48
▸ ACHE P22303 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NAAA Q02083 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 2/20 0.36

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
SCHEMBL9024602 0.87 ALDH1A1 (0.49) PRSS1TPSAB1ACHEALDH1A1HPGD
SCHEMBL25964314 0.84 PRSS1 (0.46) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL16015346 0.81 PRSS1 (0.48) PRSS1TPSAB1ACHEALDH1A1HPGD
SCHEMBL25964144 0.81 PRSS1 (0.43) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL24797627 0.79 PRSS1 (0.45) PRSS1TPSAB1ACHEALDH1A1HPGD
SCHEMBL25749356 0.78 PRSS1 (0.41) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL1329140 0.77 HDAC1 (0.52) PRSS1TPSAB1ACHEALDH1A1HPGD
Hydrochloric Acid SCHEMBL8696150 0.76 HDAC1 (0.51) PRSS1TPSAB1ACHEALDH1A1HPGD
SCHEMBL20794169 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ETSHRMAPK1
Hydrochloric Acid SCHEMBL1880511 0.76 HDAC1 (0.51) PRSS1TPSAB1ACHEALDH1A1HPGD

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-2024141575-A1 ANTIBODY-DRUG CONJUGATES TARGETING UPARAP COMPRISING EXATECAN DERIVATIVES ADCENDO APS (DK) 2024-07-04 — — WO disclosed
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