SCHEMBL8894063

SCHEMBL8894063

O=CNCCCC(CCCI)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.37
ADH1C P00326 3/20 0.37
ADH1A P07327 3/20 0.37
ADH7 P40394 3/20 0.37
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.32
ADH4 P08319 1/20 0.32
MAOA P21397 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
SCHEMBL7817246 0.94 ADH1B (0.37) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL7817328 0.86 ADH1B (0.38) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL8892870 0.84 CCR1 (0.37) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL7827162 0.81 ADH1B (0.37) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL7830286 0.79 KIF11 (0.39) MEN1KMT2A
SCHEMBL7832303 0.78 CCR1 (0.37) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL7824371 0.76 L3MBTL1 (0.48)
SCHEMBL8892472 0.76 KIF11 (0.33) ADH1BADH1CADH1AADH7
SCHEMBL7823967 0.76 KIF11 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL8892935 0.71 CYP24A1 (0.39) ALDH1A1MEN1KMT2A

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
WO-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed