SCHEMBL28035676

SCHEMBL28035676

OCCC[CH]Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KCNH3 Q9ULD8 2/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 1/20 0.36
RECQL P46063 1/20 0.34
MCL1 Q07820 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 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
SCHEMBL3929076 0.79 SOAT2 (0.41) ALDH1A1KCNH3GAAMAPTNPSR1
SCHEMBL3925721 0.78 SOAT2 (0.47) ALDH1A1KCNH3GAANPSR1KMT2A
SCHEMBL132640 0.76 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL16972621 0.76 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL5142158 0.76 SOAT2 (0.50) ALDH1A1KCNH3GAANPSR1
SCHEMBL5073196 0.76 SOAT2 (0.50) ALDH1A1KCNH3GAANPSR1
SCHEMBL6244975 0.74 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1KMT2AKDM4E
SCHEMBL49759 0.73 ALDH1A1 (0.48) ALDH1A1GAAMAPTSMN1; SMN2NPC1
SCHEMBL8542456 0.69 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL11328122 0.69 ALDH1A1 (0.54) ALDH1A1GAALMNAMAPTSMN1; SMN2

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-102482514-B Adhesion promoter for coatings on surfaces of different substrates BYK-CHEMIE GMBH (DE) 2015-09-23 CN disclosed