SCHEMBL29048656

SCHEMBL29048656

CCOc1cc(OCC)c(-c2cc(-c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)cc(-c3cc(OCC)c(OCC)cc3OCC)n2)cc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
GRM5 P41594 1/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 3/20 0.34
AGPAT2 O15120 1/20 0.34
TP53 P04637 2/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL30525985 1.00 ENPP3 (0.43) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL21670557 1.00 ENPP3 (0.43) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL30525996 0.90 ENPP3 (0.40) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL21670593 0.90 ENPP3 (0.40) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL31368583 0.87 ENPP3 (0.39) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL21670547 0.86 LMNA (0.45) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL21670568 0.86 LMNA (0.45) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL30526041 0.86 LMNA (0.45) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL30526020 0.86 LMNA (0.45) ENPP3ENPP1GRM5MAPTSMN1; SMN2
SCHEMBL21670563 0.86 ENPP1 (0.56) ENPP3ENPP1GRM5MAPTNPSR1

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-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed