SCHEMBL9921935

SCHEMBL9921935

CCOC(=O)c1ccc2cc(C=O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B2 P37059 1/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL707407 0.87 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL16329467 0.86 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL9979785 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL528212 0.83 CA1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL7196138 0.83 SLC7A5 (0.43) KDM4EPOLBALDH1A1
SCHEMBL4501007 0.82 ALDH1A1 (0.68) CA12CA1CA2CA7CA9
SCHEMBL5049838 0.81 MAOB (0.51) LMNAKDM4ENPC1MAPTRAB9A
SCHEMBL1960994 0.81 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL97218 0.81 POLB (0.57) CA12CA1CA2CA7CA9
SCHEMBL7642823 0.80 HRH3 (0.61) 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-8748525-B2 Polyester film and method of fabricating the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-06-10 US disclosed
US-20120149830-A1 POLYESTER FILM AND METHOD OF FABRICATING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-06-14 US disclosed