SCHEMBL5509685

SCHEMBL5509685

Nc1cc2ccc(O)c(F)c2c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
ALDH1A1 P00352 6/20 0.34
GAA P10253 5/20 0.34
MAPT P10636 3/20 0.34
PKM P14618 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
ALOX15 P16050 5/20 0.33
HSD17B10 Q99714 5/20 0.33
HPGD P15428 3/20 0.33
ALOX12 P18054 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5508443 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5510375 0.81 ESR1 (0.42) ESR1ESR2ALDH1A1GAAMAPT
SCHEMBL28692199 0.76 ESR1 (0.40) ESR1ESR2ALOX15CYP17A1CYP11B1
SCHEMBL12912893 0.76 ESR1 (0.40) ESR1ESR2ALDH1A1MAPTPKM
SCHEMBL5514312 0.74 ESR1 (0.42) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL6586598 0.72 CDK2 (0.40) ALDH1A1ALOX15HSD17B10HPGDCYP17A1
SCHEMBL5513095 0.72 ESR1 (0.37) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL5509898 0.72 PRKCI (0.35)
SCHEMBL572491 0.71 EP300 (0.42) ALDH1A1GAAMAPTPKMMEN1
SCHEMBL5512579 0.71 ESR1 (0.47) ESR1ESR2ALDH1A1NPC1CA12

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