SCHEMBL8976604

SCHEMBL8976604

CCCc1ccc(OP(=O)(O)O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.40
INPP5A Q14642 4/20 0.40
AKT1 P31749 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
INPP5B P32019 2/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HMGCR P04035 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALOX5 P09917 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NCEH1 Q6PIU2 2/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL29282874 0.92 S1PR1 (0.41) INPPL1INPP5AS1PR1S1PR3INPP5B
SCHEMBL4572722 0.88 INPPL1 (0.42) INPPL1INPP5AAKT1S1PR1S1PR3
SCHEMBL27405593 0.87 INPPL1 (0.41) INPPL1INPP5AAKT1S1PR1S1PR3
SCHEMBL27831542 0.87 INPPL1 (0.41) INPPL1INPP5AAKT1S1PR1S1PR3
SCHEMBL27354515 0.87 INPPL1 (0.41) INPPL1INPP5AAKT1S1PR1S1PR3
SCHEMBL27433796 0.87 INPPL1 (0.41) INPPL1INPP5AAKT1S1PR1S1PR3
SCHEMBL27571715 0.84 INPPL1 (0.41) INPPL1INPP5AAKT1INPP5BHMGCR
SCHEMBL5085353 0.80 S1PR1 (0.41) INPPL1INPP5AS1PR1S1PR3INPP5B
SCHEMBL5089233 0.79 CYP2C19 (0.41) HMGCRMEN1KMT2AGAAPTGDR2
SCHEMBL9885330 0.78 GABRA1 (0.46) NPC1RAB9AGAAALOX5GABRA1

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
CN-114058114-A Nucleated polypropylene resin for primary lens packages 强生视力健公司 2022-02-18 CN disclosed
US-5536773-A Polypropylene resin composition and the use of the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-07-16 US disclosed