SCHEMBL19901568

SCHEMBL19901568

O=C(CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)NCC(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.40
▸ PTGS2 P35354 5/20 0.40
▸ MGLL Q99685 3/20 0.38
▸ FAAH O00519 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR35 Q9HC97 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
SCHEMBL16006820 0.94 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL19901573 0.89 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL17347440 0.89 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL16006863 0.89 PTGS1 (0.54) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL16006806 0.87 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL19901565 0.85 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL11887084 0.84 PTGS1 (0.43) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL16006752 0.83 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL20471076 0.82 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHHTT
SCHEMBL17347454 0.81 AKT1 (0.43) PTGS1PTGS2HTTHPGDSMN1; SMN2

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
EP-2961435-B1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN INC (US) 2019-05-01 — — EP disclosed
US-9901647-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2018-02-27 — — US disclosed
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