SCHEMBL10579232

SCHEMBL10579232

CCCCCCCCCCCCNC(=O)C(Cl)CCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.57
GNAO1 P09471 1/20 0.57
GNAI1 P63096 1/20 0.57
DPP7 Q9UHL4 2/20 0.56
RRM1 P23921 1/20 0.56
EPHX1 P07099 9/20 0.53
ALDH1A2 O94788 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALDH2 P05091 1/20 0.53
ALDH1A3 P47895 1/20 0.53
SIRT6 Q8N6T7 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
MMP8 P22894 1/20 0.49
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
CASP2 P42575 1/20 0.48
NAAA Q02083 2/20 0.47

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
SCHEMBL27536518 0.86 DPP7 (0.53) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL5001334 0.86 ACHE (0.46) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10400683 0.85 EPHX1 (0.53) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL10399529 0.85 EPHX1 (0.53) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL28077769 0.85 DPP7 (0.55) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL7402062 0.84 DPP7 (0.50) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL11059038 0.81 EPHX1 (0.57) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL2482508 0.81 GNAI3 (0.60) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL22643752 0.81 GNAI3 (0.60) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL8767020 0.81 GNAI3 (0.60) GNAI3GNAO1GNAI1DPP7RRM1

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-4877885-A Novel 3-sulfinatomethyl-or 3-sulfonatomethyl-4-sulfomethyl pyrrolidinium betaines and their salts as well as process for making the same AKADEMIE DER WISSENSCHAFTEN DER DDR (DD) 1989-10-31 US disclosed