SCHEMBL9340804

SCHEMBL9340804

O=C1C=C(NC2CCCC2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
MT-CO2 P00403 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR4 O00206 1/20 0.35

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
SCHEMBL5592334 0.85 ALDH1A1 (0.41) NPSR1ALDH1A1LMNAMT-CO2POLB
SCHEMBL5456112 0.77 MT-CO2 (0.38) NPSR1ALDH1A1LMNAMT-CO2POLB
SCHEMBL5458664 0.77 MT-CO2 (0.38) NPSR1ALDH1A1LMNAMT-CO2POLB
SCHEMBL5465660 0.77 MT-CO2 (0.38) NPSR1ALDH1A1LMNAMT-CO2POLB
SCHEMBL5456115 0.77 MT-CO2 (0.38) NPSR1ALDH1A1LMNAMT-CO2POLB
SCHEMBL5456121 0.77 MT-CO2 (0.38) NPSR1ALDH1A1LMNAMT-CO2POLB
SCHEMBL7295584 0.74 MALT1 (0.55) ALDH1A1LMNAPOLBKMT2AGAA
SCHEMBL9341425 0.73 MT-CO2 (0.41) NPSR1ALDH1A1LMNAMT-CO2POLB
SCHEMBL9341420 0.73 MT-CO2 (0.41) NPSR1ALDH1A1LMNAMT-CO2POLB
SCHEMBL9341423 0.73 MT-CO2 (0.41) NPSR1ALDH1A1LMNAMT-CO2POLB

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-6100444-A None JP disclosed
JP-H06100444-A CEREBRAL FUNCTION-IMPROVING MEDICINE NIKKEN CHEM CO LTD 1994-04-12 JP disclosed