SCHEMBL31472620

SCHEMBL31472620

COc1c(C)c(OC)c(C)c(C(=O)N[C@H]2CC3C=CC2C3)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ EPHX2 P34913 5/20 0.43
▸ GAA P10253 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TAS1R3 Q7RTX0 3/20 0.37
▸ TAS1R1 Q7RTX1 3/20 0.37
▸ TAS1R2 Q8TE23 3/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31472634 0.74 MEN1 (0.52) ALDH1A1MAPTNPSR1EPHX2GAA
SCHEMBL31472628 0.74 EPHX2 (0.50) ALDH1A1EPHX2GAANPC1RAB9A
SCHEMBL31472627 0.74 EPHX2 (0.50) ALDH1A1EPHX2GAANPC1RAB9A
SCHEMBL31472619 0.71 GAA (0.52) ALDH1A1EPHX2GAATDP1NPC1
SCHEMBL31472625 0.70 GRM5 (0.52) ALDH1A1NPSR1GAANPC1RAB9A
SCHEMBL31472626 0.69 GLA (0.47) ALDH1A1EPHX2GAATDP1NPC1
SCHEMBL31472622 0.68 GAA (0.54) ALDH1A1MAPTEPHX2GAATDP1
SCHEMBL31472630 0.68 GAA (0.54) ALDH1A1MAPTEPHX2GAATDP1
SCHEMBL31472629 0.68 NPC1 (0.53) NPSR1GAANPC1RAB9AKDM4E
SCHEMBL31472623 0.67 GAA (0.53) ALDH1A1EPHX2GAATDP1NPC1

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-119504475-A N-alkylamine compound, preparation method and application 南阳师范学院 2025-02-25 — — CN disclosed
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