SCHEMBL5513985

SCHEMBL5513985

Oc1c(F)ccc2c(O)c(F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALB P02768 1/20 0.37
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
KDM4E B2RXH2 2/20 0.33
MPI P34949 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 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
SCHEMBL5510115 0.84 ERN1 (0.34) ERN1CA3CA6CA5ACA9
SCHEMBL5515582 0.83 IDO1 (0.46) ERN1CA6ALBKDM4EMPI
SCHEMBL5514314 0.83 CA3 (0.34) ERN1CA3CA6CA5ACA9
SCHEMBL5512576 0.82 ERN1 (0.48) ERN1CA3CA6CA5ACA9
SCHEMBL5511694 0.79 ADRA2A (0.33) ERN1
SCHEMBL5513042 0.79 ALDH1A1 (0.54) ERN1ALBKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL20498005 0.78 ALDH1A1 (0.52) ERN1ALBKDM4EMEN1ALDH1A1
SCHEMBL5509646 0.76
SCHEMBL6568133 0.75 CA3 (0.48) ERN1CA3CA6CA5ACA9
SCHEMBL5510158 0.75 CA9 (0.48) ERN1CA3CA6CA5ACA9

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