SCHEMBL8430286

SCHEMBL8430286

COc1c(C)cc(CC(=O)OCCO)cc1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PTGDR Q13258 1/20 0.34

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
SCHEMBL7933549 0.90 ALDH1A1 (0.47) L3MBTL1KMT2AMEN1ALDH1A1ALOX5
SCHEMBL8433312 0.87 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL8430350 0.86 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL7792920 0.83 THRB (0.49) L3MBTL1PTGDR2ALDH1A1GAACCNT1
SCHEMBL7942538 0.81 THRB (0.39) KMT2AMEN1SMN1; SMN2PTGDR2ALDH1A1
SCHEMBL8432177 0.80 PTGDR2 (0.46) L3MBTL1KMT2AMEN1SMN1; SMN2PTGDR2
SCHEMBL6568807 0.80 ALDH1A1 (0.38) KMT2AMEN1PTGDR2ALDH1A1POLB
SCHEMBL6567794 0.78 TNKS2 (0.42) PTGDR2ALDH1A1POLB
SCHEMBL7941368 0.77 ALDH1A1 (0.47) L3MBTL1KMT2AMEN1PTGDR2ALDH1A1
SCHEMBL7941423 0.76 ALDH1A1 (0.46) L3MBTL1KMT2AMEN1ALDH1A1ALOX5

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-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed