Decane

Decane

SCHEMBL3404546

C=CC(CC)CCC.CCCCCCCCCC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DNM1 Q05193 2/20 0.39
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL10705046 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL4303631 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL19263699 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL25181805 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL5945372 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL25171260 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL10552173 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL11651644 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL10899501 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA
SCHEMBL11973070 0.91 TSHR (0.48) TSHRSMN1; SMN2DNM1THRBLMNA

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-20100122627-A1 MEMBRANE-BASED SYSTEMS AND METHODS FOR HYDROGEN SEPARATION PRAXAIR TECHNOLOGY, INC. 2010-05-20 US disclosed