SCHEMBL5508400

SCHEMBL5508400

Nc1cc(F)c2cc(O)ccc2c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.42
ESR2 Q92731 10/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AR P10275 1/20 0.37
AKR1C3 P42330 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD17B3 P37058 1/20 0.34
HSD17B1 P14061 1/20 0.33

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
SCHEMBL30655671 0.81 ESR1 (0.46) ESR1ESR2CA12CA9AR
SCHEMBL5515670 0.79 ALDH1A1 (0.33) KDM4EALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL5517850 0.79 ESR1 (0.44) ESR1ESR2ARAKR1C3KDM4E
SCHEMBL5508381 0.73 ESR1 (0.38) ESR1ESR2CA12CA1CA2
SCHEMBL7716703 0.73 ESR1 (0.44) ESR1ESR2ARAKR1C3KDM4E
SCHEMBL5514361 0.72 ESR1 (0.40) ESR1ESR2ARAKR1C3KDM4E
SCHEMBL5522364 0.72 ESR1 (0.59) ESR1ESR2
SCHEMBL5510033 0.72 ESR1 (0.49) ESR1ESR2CA12CA1CA2
SCHEMBL5514423 0.72 ESR1 (0.46) ESR1ESR2CA12CA1CA2
SCHEMBL5511508 0.72 ESR1 (0.39) ESR1ESR2ARAKR1C3KDM4E

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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed