SCHEMBL15858734

SCHEMBL15858734

CCC(C)(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.39
LPAR1 Q92633 6/20 0.39
LPAR2 Q9HBW0 5/20 0.39
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.33
THRB P10828 2/20 0.33
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
LPAR5 Q9H1C0 1/20 0.31
HMGCR P04035 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
SCHEMBL12575375 1.00 LPAR3 (0.39) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL11941091 1.00 LPAR3 (0.39) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL12938645 1.00 LPAR3 (0.39) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL116985 0.95 LPAR3 (0.42) LPAR3LPAR1LPAR2CYP4F2CYP4A11
SCHEMBL12938667 0.90 LPAR3 (0.39) LPAR3LPAR1LPAR2CYP4F2CYP4A11
SCHEMBL13818913 0.87 ALDH1A1 (0.33) TSHRCYP3A4ALDH1A1THRBCYP4F2
SCHEMBL13818912 0.85 TSHR (0.43) TSHRCYP3A4ALDH1A1THRBCYP4F2
SCHEMBL10185459 0.84 LPAR3 (0.48) LPAR3LPAR1LPAR2CYP4F2CYP4A11
SCHEMBL13964861 0.84 LPAR3 (0.35) LPAR3LPAR1LPAR2
SCHEMBL12126262 0.84 TSHR (0.36) TSHRCYP3A4ALDH1A1THRBCYP4F2

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-20140182471-A1 METHOD FOR PRODUCING PLANOGRAPHIC PRINTING PLATE AND PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2014-07-03 US disclosed