SCHEMBL7864338

SCHEMBL7864338

[CH2][C@H](CCCC=C)OC=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
MAPT P10636 2/20 0.30
ABCC4 O15439 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7856643 0.94 ALDH1A1 (0.36) ALDH1A1TSHRLMNALPAR2LPAR3
SCHEMBL7864525 0.92 ALDH1A1 (0.38) ALDH1A1TSHRLMNALPAR2LPAR3
SCHEMBL7863584 0.92 ALDH1A1 (0.38) ALDH1A1TSHRLMNALPAR2LPAR3
SCHEMBL7867267 0.92 ALDH1A1 (0.38) ALDH1A1TSHRLMNALPAR2LPAR3
SCHEMBL7864524 0.92 ALDH1A1 (0.38) ALDH1A1TSHRLMNALPAR2LPAR3
SCHEMBL7863553 0.92 ALDH1A1 (0.38) ALDH1A1TSHRLMNALPAR2LPAR3
SCHEMBL7864510 0.75
SCHEMBL7865038 0.75
SCHEMBL7517010 0.74 ADH1B (0.39) TSHRMAPTSMN1; SMN2
SCHEMBL7856845 0.74

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
EP-1067122-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
EP-0435632-A2 Phenylpyrimidine derivatives, process for preparing the same, liquid crystal compositions containing said derivatives as active ingredient, and liquid crystal elements using such compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed