SCHEMBL8708141

SCHEMBL8708141

CC(C)C[C@@H](C(=O)N(C)[C@@H](CC(C)CCC(C)O)C(=O)CC(O)C(=O)OC(C)(C)C)N(C)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PSEN1 P49768 6/20 0.34
PSEN2 P49810 6/20 0.34
APH1B Q8WW43 6/20 0.34
NCSTN Q92542 6/20 0.34
APH1A Q96BI3 6/20 0.34
PSENEN Q9NZ42 6/20 0.34
REN P00797 4/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
BACE1 P56817 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8710905 0.88 MMP1 (0.35) CTSLCTSBCTSSCTSKBACE1
SCHEMBL9067940 0.78 MMP1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8711405 0.78 MEN1 (0.31) ALDH1A1POLBMAPTNPSR1TDP1
SCHEMBL8713576 0.77 CTSK (0.49) ALDH1A1RENCTSLCTSBCTSS
SCHEMBL9070551 0.76 MMP1 (0.34) ALDH1A1CTSLBACE1MMP1MMP3
SCHEMBL8895474 0.75 MEN1 (0.43) ALDH1A1CTSLCTSBCTSSCHRNB2
SCHEMBL8896038 0.75 ALDH1A1 (0.34) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL9073693 0.74 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893220 0.74 ALDH1A1 (0.33) ALDH1A1CTSLCTSBCTSSCHRNB2
SCHEMBL8894248 0.73 ALDH1A1 (0.32) ALDH1A1RENCTSKCHRNB2CHRNB4

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
US-5821222-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5529984-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed