SCHEMBL10599484

SCHEMBL10599484

CCc1ccccc1NCC(C)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HTT P42858 2/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL15353614 0.85 IDO1 (0.47) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL28876712 0.84 IDO1 (0.44) ALDH1A1MAPTHTTMDM4TP53
SCHEMBL10897208 0.81 HTT (0.55) ALDH1A1HTT
SCHEMBL11172757 0.79 HTT (0.46) ALDH1A1HTT
SCHEMBL7132181 0.77 ALDH1A1 (0.39) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL6023261 0.77 ALDH1A1 (0.47) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL17006480 0.77 HTT (0.57) ALDH1A1MAPTHTT
SCHEMBL9461115 0.76 ALDH1A1 (0.51) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL30806170 0.76 MAPT (0.54) ALDH1A1POLBMAPTGAATAS1R3
SCHEMBL29462975 0.76 AR (0.49) ALDH1A1POLBMAPTGAATAS1R3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219765-B1 MAGNETIC-RECORDING SUPPORT WITH DISPERSING AGENTS HARDENABLE BY RADIATION Agfa-Gevaert AG (DE) 1989-06-28 EP disclosed
US-4687709-A UNSATURATED PHOSPHROIC ACID MIXTURES AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1987-08-18 US disclosed