SCHEMBL28969103

SCHEMBL28969103

CCCCCCCCCCCCCCC1NCCN1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GBA1 P04062 7/20 0.42
EPHX1 P07099 1/20 0.41
SPHK1 Q9NYA1 2/20 0.41
GUSB P08236 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ALOX5 P09917 1/20 0.39
GLB1 P16278 1/20 0.38
GBA2 Q9HCG7 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL27260431 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL5675532 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL27992616 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL28815780 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL5677084 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL4340747 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL5680185 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL5675531 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL21585703 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB
SCHEMBL27992831 1.00 ALDH1A1 (0.44) ALDH1A1GBA1EPHX1SPHK1GUSB

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-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 CN disclosed