SCHEMBL6061834

SCHEMBL6061834

CC(C)CCc1ccc(Oc2ccccc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.47
LTA4H P09960 1/20 0.46
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
POLB P06746 1/20 0.43
PTGS1 P23219 1/20 0.41
MCL1 Q07820 2/20 0.40
BCL2L1 Q07817 1/20 0.40
BCL2 P10415 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
GLI1 P08151 1/20 0.39
GLI2 P10070 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
ESR1 P03372 1/20 0.39
CYP19A1 P11511 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL6061153 0.87 ALDH1A1 (0.45) TYRLTA4HPOLBALDH1A1LMNA
SCHEMBL6062347 0.84 LTA4H (0.48) LTA4HNR1H2BAXPTGS1MCL1
SCHEMBL5209521 0.83 LTA4H (0.50) TYRLTA4HNR1H2BAXPOLB
SCHEMBL6061193 0.80 TYR (0.60) TYRLTA4HNR1H2BAXPOLB
SCHEMBL6061390 0.80 LTA4H (0.50) TYRLTA4HNR1H2BAXPOLB
SCHEMBL12806640 0.79 LTA4H (0.53) LTA4HNR1H2BAXPOLBALDH1A1
SCHEMBL6062066 0.79 TYR (0.59) TYRLTA4HALDH1A1MAPT
SCHEMBL6061474 0.78 CYP3A4 (0.62) TYRLTA4HALDH1A1MAPT
SCHEMBL31545069 0.77 TYR (0.76) TYRMAPT
SCHEMBL940625 0.77 TYR (0.76) TYRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053989-B1 Hydroxydiphenyl ether compounds CIBA SC HOLDING AG (CH) 2007-07-25 EP disclosed
US-7105577-B2 for finishing of undyed and dyed or printed fibre materials; treatment of skin, mucous membrane or hair, hard surfaces, oral care; detergent CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-09-12 US disclosed