SCHEMBL11052801

SCHEMBL11052801

Oc1ccc(-c2ccccc2)c(CCCCBr)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
ESR2 Q92731 4/20 0.46
CYP26A1 O43174 1/20 0.39
BACE1 P56817 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
ESR1 P03372 5/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PELI1 Q96FA3 1/20 0.36

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
SCHEMBL5931833 0.84 ALOX5 (0.44) ALOX5ESR2ESR1KMT2AMEN1
SCHEMBL2860952 0.84 ALOX5 (0.63) ALOX5ESR2CYP26A1BACE1HSP90AA1
SCHEMBL11056289 0.83 ALOX5 (0.57) ALOX5ESR2ESR1KMT2AMEN1
SCHEMBL10441217 0.83 ALOX5 (0.57) ALOX5ESR2ESR1KMT2AMEN1
SCHEMBL11051120 0.83 ALOX5 (0.49) ALOX5ESR2CYP26A1BACE1HSP90AA1
SCHEMBL10441000 0.83 ALOX5 (0.57) ALOX5ESR2ESR1KMT2AMEN1
SCHEMBL1765204 0.82 TYR (0.54) ALOX5ESR2CYP26A1BACE1ESR1
SCHEMBL28644245 0.79 DPP4 (0.50) KMT2ATDP1
SCHEMBL2863552 0.79 ALOX5 (0.65) ALOX5ESR2CYP26A1BACE1HSP90AA1
SCHEMBL10598993 0.78 ALOX5 (0.55) ALOX5ESR2CYP26A1BACE1TYR

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-4480052-A COLORLESS DYE, PHENOL DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1984-10-30 US disclosed
US-4471073-A FATTY AMIDES, BISPHENOL COMPOUNDS, DYES FUJI PHOTO FILM CO., LTD. (JP) 1984-09-11 US disclosed