SCHEMBL8439320

SCHEMBL8439320

C=C(CCCC)C(=O)OCCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
DGKA P23743 1/20 0.32
ENPP2 Q13822 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL20269205 0.91 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL1685755 0.88 TSHR (0.42) ALDH1A1TSHRSMN1; SMN2TDP1HPGD
SCHEMBL10681047 0.84 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL631946 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TDP1ENPP2LPAR2
SCHEMBL352028 0.84 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2
SCHEMBL3315163 0.82 ALDH1A1 (0.66) ALDH1A1TSHRSMN1; SMN2TDP1
SCHEMBL9858055 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9858050 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4370789 0.80 ALDH1A1 (0.44) ALDH1A1
SCHEMBL4865011 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1ENPP2

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
EP-0581536-B1 Epoxy group-containing resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1999-06-30 EP disclosed