SCHEMBL25964144

SCHEMBL25964144

CCC(=O)N(C)CCN(C)C(=O)OCc1ccc(CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ NAAA Q02083 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
SCHEMBL25962335 0.90 PRSS1 (0.42) PRSS1TPSAB1ALDH1A1F13A1TGM2
SCHEMBL25749532 0.86 LMNA (0.46) PRSS1TPSAB1HPGDKDM4EF13A1
SCHEMBL13596562 0.86 F13A1 (0.43) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL25964314 0.85 PRSS1 (0.46) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL24760586 0.83 F13A1 (0.41) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL25749356 0.82 PRSS1 (0.41) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL16015346 0.82 PRSS1 (0.48) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL24797627 0.81 PRSS1 (0.45) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL27439043 0.81 PRSS1 (0.48) PRSS1TPSAB1ALDH1A1HPGDKDM4E
SCHEMBL7367495 0.77 ALDH1A1 (0.58) ALDH1A1HPGDF13A1TGM2TGM1

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
EP-4223318-A1 ANTITUMOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2023-08-09 — — EP disclosed
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