SCHEMBL28190023

SCHEMBL28190023

C=CC(=O)OC(CCCCC)OP(=O)(O)OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.46
PLA2G2A P14555 4/20 0.41
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
FDPS P14324 4/20 0.37
LAP3 P28838 1/20 0.35
S1PR2 O95136 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR4 O95977 4/20 0.35

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
SCHEMBL28117268 0.99 SMPD1 (0.49) SMPD1PLA2G2ATSHRHPGDFDPS
SCHEMBL1081569 0.93 SMPD1 (0.50) SMPD1PLA2G2ATSHRHPGDFDPS
SCHEMBL28245086 0.92 SMPD1 (0.53) SMPD1PLA2G2ATSHRHPGDFDPS
Ammonia Solution, Strong SCHEMBL28245736 0.90 SMPD1 (0.51) SMPD1PLA2G2ATSHRHPGDFDPS
SCHEMBL28245219 0.88 TSHR (0.45) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL6783963 0.87 SMPD1 (0.63) SMPD1TSHRHPGDFDPSLAP3
SCHEMBL28865008 0.87 TSHR (0.44) SMPD1TSHRHPGDFDPSS1PR2
SCHEMBL23581995 0.86 SMPD1 (0.66) SMPD1TSHRHPGDFDPSLAP3
SCHEMBL22471729 0.86 SMPD1 (0.66) SMPD1TSHRHPGDFDPSLAP3
SCHEMBL21496268 0.86 SMPD1 (0.66) SMPD1TSHRHPGDFDPSLAP3

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
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed