SCHEMBL20163315

SCHEMBL20163315

CC(C)CN(C)CC(C)C.CCCCN(C)CCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
GGPS1 O95749 3/20 0.38
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KDM4C Q9H3R0 5/20 0.36
KDM5A P29375 4/20 0.36
DNM1 Q05193 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM4A O75164 1/20 0.34
HTR7 P34969 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL13046294 0.93 PIK3CD (0.46) PIK3CDGGPS1S1PR2S1PR1S1PR3
SCHEMBL2966567 0.92 PIK3CD (0.50) PIK3CDGGPS1S1PR2S1PR1S1PR3
SCHEMBL18251199 0.85 GGPS1 (0.38) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9945708 0.85 GGPS1 (0.38) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL14473737 0.85 GGPS1 (0.52) PIK3CDGGPS1S1PR2S1PR1S1PR3
SCHEMBL23948096 0.83 GGPS1 (0.41) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL22861930 0.83 GGPS1 (0.55) PIK3CDGGPS1S1PR2S1PR1S1PR3
SCHEMBL23842241 0.83 GGPS1 (0.55) PIK3CDGGPS1S1PR2S1PR1S1PR3
SCHEMBL22861625 0.83 GGPS1 (0.55) PIK3CDGGPS1S1PR2S1PR1S1PR3
SCHEMBL22861784 0.83 PIK3CD (0.46) PIK3CDGGPS1S1PR2S1PR1S1PR3

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-20180141967-A1 BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME KURARAY CO., LTD. (JP) 2018-05-24 US claimed