SCHEMBL7628906

SCHEMBL7628906

[C]#CC(C)CCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
FDPS P14324 1/20 0.37

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
SCHEMBL383851 1.00 OPRM1 (0.44) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL386463 0.97
SCHEMBL387477 0.90
SCHEMBL29647839 0.79 OPRM1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL16782308 0.79 OPRM1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9438117 0.79 OPRM1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL8082595 0.78 LMNA (0.39) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL1694200 0.77 SPHK1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL1694745 0.77 SPHK1 (0.48) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL25252646 0.75 TSHR (0.48) OPRM1SPHK1LMNADNM1TSHR

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-6420452-B1 POLYURETHANES WITH EXTENDERS AORTECH BIOMATERIALS PTY LTD (AU) 2002-07-16 US claimed