SCHEMBL10712460

SCHEMBL10712460

CCCCCCc1cccc(-c2c(CCCC)ccc3[nH]nnc23)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 10/20 0.39
SPHK1 Q9NYA1 7/20 0.39
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL3977731 0.86 DHFR (0.41) LIPG
SCHEMBL1906878 0.84 GPR84 (0.40) LIPG
SCHEMBL1938294 0.83 HSD11B1 (0.38)
SCHEMBL29123515 0.81 SPHK2 (0.41) SPHK2SPHK1LPLLIPG
SCHEMBL28489734 0.79 KAT8 (0.41) HTR1AHTR1DHTR1B
SCHEMBL27794958 0.78 MAPK14 (0.36) HTR1DHTR1B
SCHEMBL27669182 0.77 NR1H2 (0.39) LIPG
SCHEMBL28235005 0.75 AKT2 (0.36)
SCHEMBL460020 0.75 LIPG (0.42) LIPG
SCHEMBL461413 0.75 LIPG (0.42) LIPG

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-0172961-B1 1-BUTENE POLYMER AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-10-19 EP disclosed
EP-0131358-B1 FIRE-RETARDANT 1-BUTENE RESIN COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-08-17 EP disclosed