SCHEMBL9575718

SCHEMBL9575718

C=CCOCCOc1ccc(CC(C)(O)C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
USP2 O75604 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
ACACB O00763 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL9575627 0.88 MAPT (0.47) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL10455828 0.85 LMNA (0.39) ALDH1A1SMN1; SMN2KDM4EMAPTPOLB
SCHEMBL10454958 0.82 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4EGAALMNA
SCHEMBL9174795 0.81 THRB (0.56) ALDH1A1SMN1; SMN2KDM4EGAALMNA
SCHEMBL19644362 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL788296 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL9614864 0.79 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL3975354 0.79 THRA (0.38) ALDH1A1SMN1; SMN2KDM4EGAAMAPT
SCHEMBL9819191 0.79 THRB (0.41) ALDH1A1SMN1; SMN2KDM4EGAALMNA
SCHEMBL9575589 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EGAAMAPT

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
EP-0281941-B1 Coreactive photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP claimed