SCHEMBL7754926

SCHEMBL7754926

CCC[CH]NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.44
ADH1C P00326 3/20 0.44
ADH1A P07327 3/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 2/20 0.41
EPHX1 P07099 6/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.36
SHBG P04278 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL1678574 0.88
SCHEMBL83420 0.81 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8604311 0.78 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1672079 0.78
SCHEMBL1678876 0.74
SCHEMBL28077826 0.74 ADH1B (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17397424 0.73
SCHEMBL8428971 0.71 EPHX1 (0.57) EPHX1ALDH1A1KDM4EEPHX2
SCHEMBL6974490 0.71 SHBG (0.39) EPHX1ALDH1A1KDM4ESHBG
SCHEMBL17204388 0.70 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7

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-2001046085-A2 COMPOSITION FUNCTIONING AS A BINDING AGENT AND AS A COMBAT FACTOR AGAINST ASCENSIONAL HUMIDITY IN BUILDING AND METHOD TO APPLY COSOFRET SORIN CEZAR (RO) 2001-06-28 WO disclosed