SCHEMBL27363554

SCHEMBL27363554

C=CC(=O)O[C@@H]1CN[C@H](C(=O)OC)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ PIM1 P11309 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ CTSC P53634 1/20 0.30

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
SCHEMBL18009276 0.84 HCAR2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20446053 0.82 CYP2D6 (0.44) CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL16397787 0.82 CYP2D6 (0.44) CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL19002903 0.82 CYP2D6 (0.44) CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL16397543 0.82 CYP2D6 (0.44) CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL16397892 0.82 CYP2D6 (0.44) CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL1260591 0.82 CYP2D6 (0.44) CYP1A2CYP2D6ALOX15CYP2C19
Hydrochloric Acid SCHEMBL1260628 0.81 CYP2D6 (0.43) CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL9641197 0.80 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13403384 0.78 CTSC (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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
WO-2024049979-A2 NOVEL IONIZABLE LIPIDS AND LIPID NANOPARTICLES AND METHODS OF USING THE SAME SENDA BIOSCIENCES, INC. (US) 2024-03-07 — — WO disclosed
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