SCHEMBL8094986

SCHEMBL8094986

CCCCc1cccc(Cc2ccc(Cc3cccc(CCCC)c3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.49
LIPG Q9Y5X9 3/20 0.49
SKP2 Q13309 1/20 0.48
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
XIAP P98170 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL8099752 0.96 MTNR1A (0.51) LPLLIPGSKP2MTNR1AMTNR1B
SCHEMBL5433566 0.96 LPL (0.52) LPLLIPGSKP2MTNR1AMTNR1B
SCHEMBL8095304 0.94 LPL (0.56) LPLLIPG
SCHEMBL8095321 0.92 LPL (0.57) LPLLIPG
SCHEMBL8085699 0.92 LPL (0.57) LPLLIPG
SCHEMBL8094550 0.92 LPL (0.57) LPLLIPG
SCHEMBL8094151 0.90 LPL (0.53) LPLLIPGMTNR1AMTNR1B
SCHEMBL8098362 0.89 LPL (0.59) LPLLIPG
SCHEMBL347126 0.89 LPL (0.57) LPLLIPGSKP2XIAPNPC1
SCHEMBL8093587 0.89 LPL (0.54) LPLLIPGMTNR1AMTNR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed