SCHEMBL8710331

SCHEMBL8710331

c1ccc(Oc2ccc(C3CCCC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
LTA4H P09960 5/20 0.50
TSHR P16473 1/20 0.50
HAO1 Q9UJM8 1/20 0.50
STAT3 P40763 2/20 0.46
MMP3 P08254 1/20 0.46
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45

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
SCHEMBL7702531 0.98 HAO1 (0.53) KDM1ALTA4HTSHRHAO1STAT3
SCHEMBL26154062 0.96 KDM1A (0.53) KDM1ALTA4HTSHRHAO1STAT3
SCHEMBL19322267 0.91 KDM1A (0.57) KDM1ALTA4HTSHRMMP3SLC6A2
SCHEMBL3970721 0.91 KDM1A (0.57) KDM1ALTA4HTSHRMMP3SLC6A2
SCHEMBL6704196 0.89 HAO1 (0.59) HAO1STAT3MAPTALOX12SMN1; SMN2
Glycolic Acid SCHEMBL2762978 0.85 STAT3 (0.52) HAO1STAT3MMP3
SCHEMBL20011398 0.83 KDM1A (0.42) KDM1ALTA4HHAO1STAT3MMP3
SCHEMBL24161870 0.82 ESR2 (0.53) KDM1ALTA4HTSHRMMP3SLC6A2
SCHEMBL9391575 0.82 CETP (0.50) LTA4HTSHRMAPT
SCHEMBL949252 0.82 SLC18A3 (0.68) KDM1ALTA4HSLC6A2SLC6A4SLC6A3

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-0720598-B1 PHENOXYPHENYL CYCLOPENTENYL HYDROXYUREAS PFIZER (US) 1998-10-07 EP disclosed
US-5792882-A Phenoxyphenyl cyclopentenyl hydroxyureas PFIZER INC. (US) 1998-08-11 US disclosed
EP-0720598-A1 PHENOXYPHENYL CYCLOPENTENYL HYDROXYUREAS PFIZER INC. (US) 1996-07-10 EP disclosed
WO-1995005360-A1 PHENOXYPHENYL CYCLOPENTENYL HYDROXYUREAS PFIZER INC. (US) 1995-02-23 WO disclosed