SCHEMBL29048660

SCHEMBL29048660

CCOc1ccccc1-c1cc(-c2ccc(-c3c(C)cc(C)cc3C)cc2N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.41
DHFR P00374 1/20 0.41
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
GRM5 P41594 2/20 0.38
NR3C1 P04150 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PDE3A Q14432 1/20 0.37
MAPK14 Q16539 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GCGR P47871 1/20 0.36
MAPK10 P53779 1/20 0.36
TTR P02766 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL29048673 0.90 PTPRC (0.42) PTPRCDHFRENPP3ENPP1GRM5
SCHEMBL29048618 0.88 TSHR (0.37) ADORA2AALDH1A1NPSR1KDM4EMEN1
SCHEMBL29048623 0.88 ENPP3 (0.48) PTPRCDHFRENPP3ENPP1GRM5
SCHEMBL29048617 0.81 PTPRC (0.41) PTPRCDHFRENPP3ENPP1GRM5
SCHEMBL29048678 0.79 SMN1; SMN2 (0.36) DHFRALDH1A1NPSR1KDM4EMEN1
SCHEMBL29048631 0.77 ROS1 (0.37) MAPTL3MBTL1
SCHEMBL29048669 0.76 MAPT (0.39) ENPP3ENPP1ALDH1A1NPSR1KDM4E
SCHEMBL29048658 0.75 MAPK10 (0.44) PTPRCENPP3ENPP1ADORA2AADORA1
SCHEMBL29048681 0.74 KDM4E (0.41) PDE3AALDH1A1KDM4EMEN1POLB
SCHEMBL29048671 0.74 ALOX5AP (0.46) PTPRCDHFRGRM5ADORA1ALDH1A1

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