SCHEMBL7076985

SCHEMBL7076985

CC(=Cc1c(Br)ccc(O)c1Br)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.44
APEX1 P27695 9/20 0.38
ERN1 O75460 3/20 0.34
AKR1C2 P52895 1/20 0.34
CSNK2A1 P68400 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
NR4A2 P43354 1/20 0.32
RXRG P48443 1/20 0.32
MAOB P27338 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 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
SCHEMBL7072157 0.87 AKR1C3 (0.48) AKR1C3APEX1ERN1HTTRXRA
SCHEMBL7076351 0.77 AKR1C3 (0.55) AKR1C3APEX1HTTRXRARXRB
SCHEMBL124743 0.74 AKR1C3 (0.48) AKR1C3APEX1HTTRXRARXRB
SCHEMBL124742 0.74 AKR1C3 (0.48) AKR1C3APEX1HTTRXRARXRB
Acetic Acid SCHEMBL27860234 0.72 KDM4E (0.38) AKR1C3AKR1C2CSNK2A1KDM4EALDH1A1
SCHEMBL7075952 0.71 AKR1C3 (0.33) AKR1C3AKR1C2
Methacrylic Acid SCHEMBL7077127 0.70 KDM4E (0.34) AKR1C3AKR1C2CSNK2A1KDM4EALDH1A1
SCHEMBL3958047 0.70 AKR1C3 (0.47) AKR1C3APEX1CSNK2A1HTTRXRA
SCHEMBL3958052 0.70 AKR1C3 (0.47) AKR1C3APEX1CSNK2A1HTTRXRA
SCHEMBL122735 0.69 AKR1C3 (0.45) AKR1C3APEX1ERN1AKR1C2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed