SCHEMBL29045372

SCHEMBL29045372

CCCCCCC(N)CCCCCNC1CCN(C)C(C)(C)C1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 8/20 0.35
GNAI3 P08754 4/20 0.32
GNAO1 P09471 4/20 0.32
GNAI1 P63096 4/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
METAP1 P53582 1/20 0.32
S1PR2 O95136 4/20 0.31
S1PR4 O95977 3/20 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
SCHEMBL22660895 0.90 FUCA1 (0.41) FUCA1GNAI3GNAO1GNAI1S1PR1
SCHEMBL29013931 0.81 DPP4 (0.32) METAP1
SCHEMBL29045381 0.74 ALDH1A1 (0.40) GNAI3GNAO1GNAI1METAP1
SCHEMBL29175693 0.65 POLB (0.31)
SCHEMBL12656375 0.64 PLA2G1B (0.60) S1PR1S1PR3S1PR2S1PR4
SCHEMBL2668921 0.64 PLA2G1B (0.60) S1PR1S1PR3S1PR2S1PR4
SCHEMBL237904 0.64 PLA2G1B (0.60) S1PR1S1PR3S1PR2S1PR4
SCHEMBL8980781 0.64 PLA2G1B (0.60) S1PR1S1PR3S1PR2S1PR4
SCHEMBL5502787 0.64 PLA2G1B (0.60) S1PR1S1PR3S1PR2S1PR4
SCHEMBL6645242 0.64 PLA2G1B (0.60) S1PR1S1PR3S1PR2S1PR4

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
CN-116478451-A Antioxidant with light stability and thermo-oxidative aging resistance and preparation method thereof 万华化学(宁波)有限公司 2023-07-25 CN disclosed