SCHEMBL11225403

SCHEMBL11225403

O=CC(Br)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.39
ADH1C P00326 4/20 0.39
ADH1B P00325 3/20 0.39
ADH4 P08319 1/20 0.39
EPHX1 P07099 2/20 0.36
ADH7 P40394 1/20 0.35
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15884295 0.97
SCHEMBL1496437 0.86
SCHEMBL23727310 0.86
SCHEMBL1835561 0.78 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL23727291 0.77 CPN1 (0.31)
SCHEMBL2490253 0.75 MAPT (0.35) MAPT
SCHEMBL1838306 0.75
SCHEMBL22497888 0.75 MAPT (0.35) MAPT
SCHEMBL6160838 0.72 ADH1A (0.42) ADH1AADH1CADH1BADH4EPHX1
SCHEMBL1647134 0.72 NCF1 (0.32)

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-4321372-A Antiulcer thiazol-2-ylcarbamoyl-carboxylic acids, esters and amides PFIZER INC. (US) 1982-03-23 US disclosed
US-3931331-A PLANT PROTECTION INTERMEDIATES ALLIED CHEMICAL CORPORATION (US) 1976-01-06 US disclosed