SCHEMBL7600486

SCHEMBL7600486

O=C(OO)C12CCC(CC1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL2515948 0.84 ALDH1A1 (0.38) ALDH1A1NPSR1HTTKMT2ASCN1A
SCHEMBL3704482 0.80 ALDH1A1 (0.42) ALDH1A1NPSR1HTTKMT2ASCN1A
SCHEMBL1699800 0.80 ALDH1A1 (0.36) ALDH1A1NPSR1HTTKMT2ASCN1A
SCHEMBL11884387 0.80 NPSR1 (0.36) ALDH1A1NPSR1HTTKMT2ASCN1A
SCHEMBL28417551 0.75 ALDH1A1 (0.41) ALDH1A1NPSR1HTTKMT2AMAPT
SCHEMBL3079757 0.75 ALDH1A1 (0.41) ALDH1A1NPSR1HTTKMT2AMAPT
SCHEMBL6513736 0.75 LMNA (0.44) ALDH1A1NPSR1HTTKMT2AMAPT
SCHEMBL216423 0.75 ALDH1A1 (0.43) ALDH1A1NPSR1HTTKMT2ASCN1A
SCHEMBL8028307 0.75 ALDH1A1 (0.33) ALDH1A1NPSR1HTTKMT2A
SCHEMBL1414756 0.74 SCN1A (0.45) ALDH1A1NPSR1HTTKMT2ASCN1A

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-0588622-B2 Bleach composition UNILEVER PLC (GB) 2002-12-04 EP claimed
EP-0588622-B1 Bleach composition UNILEVER PLC (GB) 1999-02-17 EP claimed