SCHEMBL9060207

SCHEMBL9060207

COc1cc(OCC(=O)OC(C)(C)C)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAOB P27338 2/20 0.44
TNFRSF1A P19438 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 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
SCHEMBL20710996 0.92 MAPT (0.47) ALDH1A1ROCK2ROCK1TNFRSF1AMAPT
SCHEMBL7682529 0.86 ALDH1A1 (0.61) ALDH1A1ROCK2ROCK1MAOBMAPT
SCHEMBL26691690 0.84 TYR (0.53) MAPTMEN1KMT2APTPN1GAA
SCHEMBL6599376 0.84 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2APTPN1
SCHEMBL6510637 0.83 ALDH1A1 (0.58) ALDH1A1ROCK2ROCK1MAPTMEN1
SCHEMBL14455033 0.83 PSEN1 (0.42) ALDH1A1MAPTMEN1KMT2APTPN1
SCHEMBL30087228 0.83 PSEN1 (0.42) ALDH1A1MAPTMEN1KMT2APTPN1
SCHEMBL3292757 0.82 ALDH1A1 (0.63) ALDH1A1ROCK2ROCK1MAOBMAPT
SCHEMBL29669441 0.82 ALDH1A1 (0.63) ALDH1A1ROCK2ROCK1MAOBMAPT
SCHEMBL14501962 0.81 TNFRSF1A (0.45) ALDH1A1TNFRSF1AMAPTMEN1KMT2A

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
US-5550215-A FORMING POLYMER ON SUBSTRATE WITH A TETHER MOLECULE; CYCLIZATION; DEPROTECTING; DECYCLIZATION AFFYMETRIX, INC. 1996-08-27 US disclosed
WO-1993010161-A1 POLYMER REVERSAL ON SOLID SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1993-05-27 WO disclosed