SCHEMBL3229459

SCHEMBL3229459

COc1ccc(C(C)(C)C)c(-c2cc(OC)ccc2C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 4/20 0.44
MAPT P10636 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APP P05067 1/20 0.44
SNCA P37840 1/20 0.44
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43

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
SCHEMBL20932847 0.92 CA1 (0.47) CA1CA2ALDH1A1GAAMEN1
SCHEMBL13336381 0.85 PIN1 (0.47) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL10320491 0.84 CA1 (0.56) CA1CA2ALDH1A1GAAMEN1
SCHEMBL5546106 0.82 CA1 (0.54) CA1CA2ALDH1A1GAAMEN1
SCHEMBL12442323 0.82 L3MBTL1 (0.41) CA1CA2MAPTRAB9ASMN1; SMN2
SCHEMBL1583828 0.80 FFAR1 (0.40) CA1CA2ALDH1A1GAARAB9A
SCHEMBL24728222 0.80 CA12 (0.53) CA1CA2ALDH1A1GAAMEN1
SCHEMBL14502703 0.80 CA1 (0.47) CA1CA2ALDH1A1GAAMEN1
SCHEMBL31525792 0.80 CA1 (0.58) CA1CA2ALDH1A1GAAMEN1
SCHEMBL179542 0.80 GAA (0.47) CA1CA2ALDH1A1GAAMEN1

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
WO-2010030339-A1 ACETYLENE TOLERANT HYDROFORMYLATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2010-03-18 WO disclosed