SCHEMBL8771297

SCHEMBL8771297

CC(Br)(SC(C)(Br)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNN4 O15554 4/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2B6 P20813 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL642315 0.76 TAAR1 (0.57) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL776167 0.74 MAPK1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL6280946 0.73 MAPK1 (0.52) MAPK1ALDH1A1TAAR1ALOX15ESR1
Hydrogen Peroxide SCHEMBL9448960 0.73 ALDH1A1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL686328 0.73 MAPK1 (0.52) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL134822 0.73 MAPK1 (0.52) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL27459137 0.71 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL576090 0.70 ALDH1A1 (0.57) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL12308063 0.70 ESR1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL35881 0.69 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502194-B1 CYCLODEXTRIN POLYMER AND CYCLODEXTRIN FILM FORMED THEREFROM TOPPAN PRINTING CO LTD (JP) 1997-10-01 EP disclosed
US-5208316-A CYCLODEXTRIN POLYMER AND CYCLODEXTRIN MEMBRANE PREPARED USING SAID POLYMER TOPPAN PRINTING CO., LTD. (JP) 1993-05-04 US disclosed
EP-0502194-A1 CYCLODEXTRIN POLYMER AND CYCLODEXTRIN FILM FORMED THEREFROM Toppan Printing Co., Ltd. (JP) 1992-09-09 EP disclosed