SCHEMBL15724964

SCHEMBL15724964

CCOC(=O)c1cc(C(C)=O)cc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 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
SCHEMBL16418625 0.93 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL5665632 0.90 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3510775 0.88 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL2759061 0.88 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL6971428 0.84 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL15724959 0.83 TSHR (0.42) ESR1CYP3A4TDP1KDM4EMEN1
SCHEMBL13307515 0.82 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL583220 0.82 NPC1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL1204142 0.82 CA5A (0.48) LMNACYP3A4TDP1KDM4EMEN1
SCHEMBL2759065 0.81 CYP2C19 (0.62) CA12CA1CA2CA7CA9

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-8735484-B1 Amorphous copolyester, substrate, and optical film INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-05-27 US disclosed
US-20140142247-A1 AMORPHOUS COPOLYESTER, SUBSTRATE, AND OPTICAL FILM INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-05-22 US disclosed