SCHEMBL8961388

SCHEMBL8961388

CCCCOP(=O)(OCCCC)C(Br)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
GAA P10253 1/20 0.44
LPAR3 Q9UBY5 6/20 0.41
LPAR1 Q92633 4/20 0.41
LPAR2 Q9HBW0 4/20 0.41
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LPAR4 Q99677 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8961431 0.89 HMGCR (0.36) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL3291222 0.80 CYP3A4 (0.54) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL8961272 0.80 POLB (0.43) CYP3A4GAATSHRL3MBTL1
SCHEMBL11687397 0.79 CYP3A4 (0.52) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL4449162 0.78 CYP3A4 (0.56) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL10831955 0.78 CYP3A4 (0.56) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL4454776 0.77 CYP3A4 (0.50) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL13618652 0.76 CYP3A4 (0.58) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL20768685 0.76 CYP3A4 (0.48) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL4459740 0.74 CYP3A4 (0.47) CYP3A4GAALPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532402-A Process for producing optically active hydroxyalkylphosphonates TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-07-02 US disclosed