SCHEMBL7554233

SCHEMBL7554233

CN(C)CCOc1ccc(C(O)CCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 9/20 0.49
HRH3 Q9Y5N1 3/20 0.49
LTA4H P09960 2/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ESR1 P03372 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ESRRB O95718 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL29102200 0.82 KDM4E (0.46) ESRRGHRH3ESR1KDM4EALDH1A1
SCHEMBL9099717 0.79 LTA4H (0.57) LTA4HESR1ESRRBSMN1; SMN2
SCHEMBL29102210 0.79 KDM4E (0.42) ESRRGHRH3LTA4HKEAP1NFE2L2
SCHEMBL11430974 0.79 TDP1 (0.50) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL30567457 0.78 SLC2A1 (0.50) LTA4HALDH1A1SMN1; SMN2
SCHEMBL6317820 0.76 AOC3 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL2554940 0.76 HRH3 (0.72) ESRRGHRH3LTA4HKEAP1NFE2L2
SCHEMBL11382574 0.76 KDM4E (0.44) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6138444 0.76 HDAC1 (0.54) ESR1
SCHEMBL6138449 0.76 HDAC1 (0.54) ESR1

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-1235776-A1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Hormos Medical Corporation (FI) 2002-09-04 EP disclosed
WO-2001036360-A1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS HORMOS MEDICAL CORPORATION (FI) 2001-05-25 WO disclosed