SCHEMBL3746243

SCHEMBL3746243

CCOC(=O)OC1(O)CCC2(CCCO2)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SOAT1 P35610 1/20 0.34
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
TSHR P16473 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
SCHEMBL2537035 0.79 SMN1; SMN2 (0.33) ALDH1A1LMNAHSD17B10GPR119TSHR
SCHEMBL7120130 0.76 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10TSHR
SCHEMBL8308690 0.76 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10SMN1; SMN2
SCHEMBL22898114 0.73 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL4498700 0.71 GPR119 (0.40) ALDH1A1LMNAGPR119
SCHEMBL16908082 0.71 ALDH1A1 (0.42) ALDH1A1GPR119SMN1; SMN2
SCHEMBL8311343 0.69 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10SMN1; SMN2
SCHEMBL24517115 0.69 KMT2A (0.30)
SCHEMBL1810872 0.67 SMN1; SMN2 (0.36) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL7878595 0.67 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185563-B1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER IP GMBH (DE) 2015-08-19 EP disclosed
EP-2185563-A1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-05-19 EP disclosed
WO-2009015801-A1 OXASPIROCYCLIC SPIRO-SUBSTITUTED TETRAMIC AND TETRONIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-02-05 WO disclosed
EP-2020413-A1 Oxaspirocyclical spiro-substituted tetram and tetron acid derivatives Bayer CropScience AG (DE) 2009-02-04 EP disclosed