SCHEMBL4608534

SCHEMBL4608534

COc1ccc(Oc2cccc(O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.56
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52
ESR2 Q92731 2/20 0.51
ESR1 P03372 1/20 0.51
MTNR1B P49286 2/20 0.50
MTNR1A P48039 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL4609188 0.90 SMN1; SMN2 (0.58) LTA4HSMN1; SMN2ESR2ESR1MTNR1B
SCHEMBL8076305 0.89 LTA4H (0.58) LTA4HSMN1; SMN2ESR2ESR1ALDH1A1
SCHEMBL29458645 0.89 LTA4H (0.58) LTA4HSMN1; SMN2ESR2ESR1ALDH1A1
SCHEMBL5027612 0.89 LTA4H (0.58) LTA4HSMN1; SMN2ESR2ESR1ALDH1A1
SCHEMBL13899983 0.87 MEN1 (0.58) LTA4HSMN1; SMN2ESR2ESR1ALDH1A1
Mequinol SCHEMBL7759397 0.86 ESR2 (0.59) LTA4HESR2ESR1GABRA1GABRG2
SCHEMBL37670120 0.85 LTA4H (0.67) LTA4HSMN1; SMN2ESR2ESR1ALDH1A1
SCHEMBL70648 0.85 LTA4H (0.67) LTA4HSMN1; SMN2ESR2ESR1ALDH1A1
SCHEMBL9385056 0.85 LTA4H (0.67) LTA4HSMN1; SMN2ESR2ESR1ALDH1A1
SCHEMBL28419866 0.85 LTA4H (0.67) LTA4HSMN1; SMN2ESR2ESR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425358-B2 Copolycarbonates having improved flowability BAYER MATERIALSCIENCE AG (DE) 2008-09-16 US disclosed
EP-1749043-B1 COPOLYCARBONATES WITH AN IMPROVED FLUIDITY BAYER MATERIALSCIENCE AG (DE) 2008-07-30 EP disclosed
US-20050250915-A1 Copolycarbonates having improved flowability BAYER MATERIALSCIENCE AG 2005-11-10 US disclosed