Ethyne

Ethyne

SCHEMBL45599

C#C.COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C1CCCCN1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.49
TLR2 O60603 2/20 0.42
KDM4E B2RXH2 1/20 0.39
HTR2C P28335 5/20 0.38
HTR2B P41595 3/20 0.38
HTR2A P28223 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
EPHX2 P34913 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13708495 0.89 PRCP (0.56) PRCPTLR2KDM4EHTR2CHTR2B
SCHEMBL17937228 0.84 PRCP (0.61) PRCPTLR2KDM4EHTR2CHTR2B
SCHEMBL18406520 0.75 PRCP (0.48) PRCPTLR2KDM4EHTR2CHTR2B
SCHEMBL6360448 0.75 PRCP (0.69) PRCPTLR2KDM4EHTR2CHTR2B
SCHEMBL6360674 0.75 PRCP (0.69) PRCPTLR2KDM4EHTR2CHTR2B
SCHEMBL3969872 0.75 PRCP (0.69) PRCPTLR2KDM4EHTR2CHTR2B
SCHEMBL24322424 0.74 PRCP (0.59) PRCPTLR2KDM4EHTR2CHTR2B
Hydrochloric Acid SCHEMBL3268154 0.74 PRCP (0.68) PRCPTLR2KDM4EHTR2CHTR2B
Hydrochloric Acid SCHEMBL6163226 0.74 PRCP (0.68) PRCPTLR2KDM4EHTR2CHTR2B
SCHEMBL18412249 0.74 PRCP (0.49) PRCPTLR2KDM4EHTR2CHTR2B

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
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed