SCHEMBL28413643

SCHEMBL28413643

CC(C)(C)c1cc(OP(O)O)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31

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
SCHEMBL1276333 0.81 PTGDR2 (0.32) CA2
SCHEMBL28391729 0.74 PDE4A (0.33) ALDH1A1
SCHEMBL9614966 0.73 ALOX15 (0.63) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL1160208 0.73 ALDH1A1 (0.33) ALDH1A1CA2
SCHEMBL1160206 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL30580403 0.72 CA2 (0.42) TP53KDM4EALDH1A1CYP1A2MAPT
SCHEMBL1071353 0.72 CA2 (0.42) TP53KDM4EALDH1A1CYP1A2MAPT
SCHEMBL10672772 0.70
SCHEMBL29146115 0.70 ALOX15 (0.50) ALOX15LMNATP53CYP3A4HPGD
SCHEMBL27696419 0.70 CA2 (0.41) TP53KDM4EALDH1A1CYP1A2MAPT

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
CN-111150196-A Electronic device package containing dilatant component 翁秋梅 2020-05-15 CN disclosed