SCHEMBL27698221

SCHEMBL27698221

CCCCCCCCCCCCCCCCCCC1NCCN1CC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GBA1 P04062 4/20 0.35
GNAO1 P09471 6/20 0.35
SPHK1 Q9NYA1 2/20 0.34
GUSB P08236 1/20 0.34
GNAI3 P08754 5/20 0.33
GNAI1 P63096 5/20 0.33
EPHX1 P07099 1/20 0.33
GLB1 P16278 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 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
SCHEMBL27469014 1.00 ALDH1A1 (0.35) ALDH1A1GBA1GNAO1SPHK1GUSB
SCHEMBL27396416 1.00 ALDH1A1 (0.35) ALDH1A1GBA1GNAO1SPHK1GUSB
SCHEMBL9814324 1.00 ALDH1A1 (0.35) ALDH1A1GBA1GNAO1SPHK1GUSB
SCHEMBL20954139 0.87 GNAO1 (0.41) GBA1GNAO1GNAI3GNAI1GBA2
SCHEMBL20954130 0.87 GNAO1 (0.41) GBA1GNAO1GNAI3GNAI1GBA2
SCHEMBL1140659 0.85 GNAO1 (0.38) GBA1GNAO1GNAI3GNAI1GBA2
SCHEMBL4369117 0.83 GNAO1 (0.35) ALDH1A1GNAO1SPHK1GNAI3GNAI1
SCHEMBL9133475 0.83 GBA1 (0.35) ALDH1A1GBA1GNAO1SPHK1GUSB
SCHEMBL9076626 0.83 GNAO1 (0.35) ALDH1A1GNAO1SPHK1GNAI3GNAI1
SCHEMBL8430780 0.83 GBA1 (0.35) ALDH1A1GBA1GNAO1SPHK1GUSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103249824-A Fabric care compositions PROCTER & GAMBLE 2013-08-14 CN disclosed
CN-101098940-A Hydrophobic, salt-like structured silicate CLARIANT GMBH (DE) 2008-01-02 CN disclosed