SCHEMBL11110321

SCHEMBL11110321

CCOC(=O)CC1(C)Oc2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
GLA P06280 2/20 0.47
CTDSP1 Q9GZU7 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 4/20 0.41
BLM P54132 2/20 0.41
GRM1 Q13255 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 2/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40

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
SCHEMBL11112900 0.88 ALDH1A1 (0.42) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11106105 0.88 KMT2A (0.45) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11112812 0.87 ALDH1A1 (0.48) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11104792 0.87 ALDH1A1 (0.41) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11107111 0.87 ALDH1A1 (0.39) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11104144 0.87 ALDH1A1 (0.39) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11107462 0.87 ALPG (0.40) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11112755 0.87 ALDH1A1 (0.41) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11109868 0.86 MAPT (0.40) ALDH1A1MAPTGLACTDSP1MEN1
SCHEMBL11111360 0.86 MAPT (0.42) ALDH1A1MAPTGLACTDSP1MEN1

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
US-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 US disclosed