SCHEMBL11044258

SCHEMBL11044258

CCCCOCCC(OCCCC)OP(=O)(O)OC(CCOCCCC)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
LPAR1 Q92633 6/20 0.42
LPAR3 Q9UBY5 6/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LPAR5 Q9H1C0 1/20 0.36
FDPS P14324 2/20 0.36
PLA2G2A P14555 1/20 0.36
LPAR2 Q9HBW0 2/20 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
SCHEMBL11047083 0.86 SMPD1 (0.37) SMPD1LPAR1LPAR3LPAR5FDPS
SCHEMBL21291955 0.82 SMPD1 (0.43) SMPD1LPAR1LPAR3TSHRCYP3A4
SCHEMBL10937244 0.80 TSHR (0.46) LPAR1LPAR3TSHRCYP3A4HPGD
SCHEMBL21291943 0.78 SMPD1 (0.40) SMPD1LPAR1LPAR3TSHRCYP3A4
SCHEMBL28496804 0.78 SMPD1 (0.60) SMPD1LPAR1LPAR3TSHRCYP3A4
SCHEMBL21291944 0.76 SMPD1 (0.49) SMPD1LPAR1LPAR3LPAR5FDPS
SCHEMBL11352600 0.75 LPAR3 (0.54) SMPD1LPAR1LPAR3TSHRCYP3A4
SCHEMBL28453079 0.74 CYP3A4 (0.51) LPAR1LPAR3TSHRCYP3A4LPAR5
SCHEMBL25365158 0.74 TSHR (0.50) LPAR1LPAR3TSHRCYP3A4HPGD
Phosphoric Acid SCHEMBL340015 0.73 TSHR (0.62) LPAR1LPAR3TSHRCYP3A4HPGD

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-4432946-A Uranium (VI) recovery process using acid organophosphorus extractant containing two or four alkoxyalkyl or aryloxyalkyl radicals COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1984-02-21 US disclosed