SCHEMBL2876997

SCHEMBL2876997

O=C(O)c1ccc(O)cc1CCCCCCCCc1cc(O)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
EGFR P00533 2/20 0.50
LCK P06239 2/20 0.50
ALOX5 P09917 2/20 0.48
PTGS2 P35354 1/20 0.48
PPARA Q07869 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TYR P14679 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL17836977 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL312308 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL10955272 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29381347 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL10955899 0.98 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL30497612 0.98 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL11016723 0.92 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL2802711 0.92 PPARA (0.59) TSHRALOX5PPARATDP1MAPT
SCHEMBL290916 0.92 PPARA (0.59) TSHRALOX5PPARATDP1MAPT
SCHEMBL4361650 0.92 PPARA (0.59) TSHRALOX5PPARATDP1MAPT

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-7662905-B2 Copolycarbonate, copolycarbonate composition, and optical molded article obtained therefrom IDEMITSU KOSAN CO., LTD. (JP) 2010-02-16 US disclosed
US-20080287610-A1 Copolycarbonate, Copolycarbonate Composition, and Optical molded Article Obtained Therefrom IDEMITSU KOSAN CO., LTD. (JP) 2008-11-20 US disclosed