SCHEMBL17188317

SCHEMBL17188317

CCCCOCCOCCCCOCCCN

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
THRB P10828 1/20 0.50
MAPT P10636 1/20 0.50
DNM1 Q05193 8/20 0.46
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.46
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL5932203 0.97 TSHR (0.52) TSHRCYP3A4MEN1KMT2AHTT
SCHEMBL429250 0.97 TSHR (0.52) TSHRCYP3A4MEN1KMT2AHTT
SCHEMBL19262110 0.97 TSHR (0.52) TSHRCYP3A4MEN1KMT2AHTT
SCHEMBL5933461 0.97 TSHR (0.52) TSHRCYP3A4MEN1KMT2AHTT
SCHEMBL24336335 0.95 TSHR (0.50) TSHRCYP3A4MEN1KMT2AHTT
SCHEMBL10002261 0.95 MEN1 (0.56) TSHRCYP3A4MEN1KMT2AHTT
SCHEMBL237526 0.95
Ethylenediamine SCHEMBL27579634 0.95 TSHR (0.55) TSHRCYP3A4MEN1KMT2AHTT
SCHEMBL14220380 0.92 MEN1 (0.60) TSHRCYP3A4MEN1KMT2AHTT
SCHEMBL11520010 0.92 MEN1 (0.60) TSHRCYP3A4MEN1KMT2AHTT

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
US-9163112-B2 Reactive polymer catalysts for 2-component epoxy resin systems SIKA TECHNOLOGY AG (CH) 2015-10-20 US disclosed