SCHEMBL9801317

SCHEMBL9801317

CC1(C)CN(CCCO)CCN1CCO

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.40
OPRL1 P41146 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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 0.94 SLC29A1 (0.44) SLC29A1TSHR
SCHEMBL9801598 0.90 ALDH1A1 (0.38) SLC29A1OPRL1TSHRKDM4EALDH1A1
SCHEMBL9801387 0.89 SLC29A1 (0.39) SLC29A1TSHR
SCHEMBL9801616 0.88 SLC29A1 (0.38) SLC29A1
SCHEMBL9801204 0.87 SLC29A1 (0.37) SLC29A1TSHR
SCHEMBL9801595 0.86 SLC29A1 (0.40) SLC29A1
SCHEMBL27598282 0.82 SLC29A1 (0.34) SLC29A1
SCHEMBL9801023 0.81 SLC29A1 (0.35) SLC29A1OPRL1KDM4EALDH1A1
SCHEMBL9801159 0.81 TSHR (0.33) SLC29A1TSHR
SCHEMBL9800998 0.81 SLC29A1 (0.38) SLC29A1KDM4EALDH1A1

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