SCHEMBL13239576

SCHEMBL13239576

C=CCCC(CCCCCCCCCC)P(=O)(CP(=O)(OC)OC)OCC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
PLA2G2C Q5R387 1/20 0.33
PLA2G2A P14555 1/20 0.32
SMPD1 P17405 3/20 0.31
FDPS P14324 3/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL2963056 0.79 TSHR (0.41) TSHRPLA2G2CSMPD1FDPSLPAR3
SCHEMBL2960728 0.77 TSHR (0.39) TSHRPLA2G2CSMPD1FDPSLPAR3
SCHEMBL6553653 0.75 SMPD1 (0.39) PLA2G2ASMPD1FDPSLPAR3
SCHEMBL13239578 0.71 TSHR (0.40) TSHRFDPSLPAR3
SCHEMBL13239577 0.70 FDPS (0.46) TSHRSMPD1FDPSLPAR3
SCHEMBL2961043 0.68 TSHR (0.42) TSHRFDPSLPAR3
SCHEMBL2954338 0.67 LPAR3 (0.39) TSHRLPAR3
SCHEMBL2963060 0.66 SMPD1 (0.42) TSHRPLA2G2CSMPD1FDPS
SCHEMBL6741682 0.64 LPAR3 (0.44) LPAR3
SCHEMBL2962258 0.64 FAAH (0.47) LPAR3

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
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed