SCHEMBL8817322

SCHEMBL8817322

CCCCCS(=O)(=O)N1CCCC1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMYD3 Q9H7B4 3/20 0.40
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MMP8 P22894 2/20 0.35
MMP3 P08254 1/20 0.35
FAAH O00519 2/20 0.34

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
SCHEMBL7864214 0.93 FKBP1A (0.43) FKBP1AALDH1A1MAPTSMYD3PSEN1
SCHEMBL19734038 0.90 ALDH1A1 (0.44) FKBP1AALDH1A1MAPTSMYD3PSEN1
SCHEMBL16480385 0.87 ALDH1A1 (0.42) FKBP1AALDH1A1PSEN1PSEN2APH1B
SCHEMBL21350707 0.83 SMYD3 (0.41) ALDH1A1SMYD3PSEN1PSEN2APH1B
SCHEMBL19734091 0.80 SMYD3 (0.41) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL13986078 0.79 S1PR1 (0.45) FKBP1AALDH1A1MAPTPSEN1PSEN2
SCHEMBL13986079 0.79 S1PR1 (0.45) FKBP1AALDH1A1MAPTPSEN1PSEN2
SCHEMBL13986075 0.79 S1PR1 (0.45) FKBP1AALDH1A1MAPTPSEN1PSEN2
SCHEMBL13986070 0.79 S1PR1 (0.45) FKBP1AALDH1A1MAPTPSEN1PSEN2
SCHEMBL13986071 0.79 S1PR1 (0.45) FKBP1AALDH1A1MAPTPSEN1PSEN2

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
JP-9286786-A None JP disclosed
JP-H09286786-A PYRIMIDINE DERIVATIVE AND ITS USE AS AN ANTITUMOR AGENT NIPPON PAPER IND CO LTD 1997-11-04 JP disclosed