SCHEMBL9801387

SCHEMBL9801387

CCCN1CCN(CCCO)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.39
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TSHR P16473 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL9801563 0.91 SLC29A1 (0.44) SLC29A1TSHR
SCHEMBL9801317 0.89 SLC29A1 (0.40) SLC29A1TSHR
SCHEMBL9801023 0.89 SLC29A1 (0.35) SLC29A1
SCHEMBL9801204 0.88 SLC29A1 (0.37) SLC29A1S1PR4S1PR1S1PR3S1PR5
SCHEMBL9801597 0.85 HTR1A (0.36) SLC29A1SIGMAR1
SCHEMBL9801616 0.85 SLC29A1 (0.38) SLC29A1
SCHEMBL9801595 0.83 SLC29A1 (0.40) SLC29A1SIGMAR1
SCHEMBL9801739 0.83 SLC29A1 (0.36) SLC29A1SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL9801598 0.80 ALDH1A1 (0.38) SLC29A1TSHR
SCHEMBL27598282 0.79 SLC29A1 (0.34) SLC29A1

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-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed