SCHEMBL14411388

SCHEMBL14411388

O=C(NCCCC1CCCC1)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 13/20 0.65
▸ FKBP1A P62942 3/20 0.57
▸ CA1 P00915 12/20 0.56
▸ CA2 P00918 12/20 0.56
▸ CA12 O43570 6/20 0.56
▸ CA14 Q9ULX7 2/20 0.55
▸ CA7 P43166 1/20 0.55
▸ USP2 O75604 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTR3A P46098 2/20 0.54

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
SCHEMBL14411392 0.92 CA1 (0.66) CA9FKBP1ACA1CA2CA12
SCHEMBL17522975 0.86 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL16521412 0.85 CA9 (0.68) CA9FKBP1ACA1CA2CA12
SCHEMBL18517643 0.85 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL10035691 0.85 CA9 (0.65) CA9FKBP1ACA1CA2CA12
SCHEMBL14089616 0.84 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL14411389 0.83 USP2 (0.50) CA9FKBP1ACA1CA2CA12
SCHEMBL13915090 0.81 CA9 (0.65) CA9CA1CA2CA12CA14
SCHEMBL18163373 0.81 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL20078557 0.81 CA1 (0.66) CA9FKBP1ACA1CA2CA12

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
US-20070221884-A1 Liminescent Silicon Oxide Flakes CIBA SPECIALTY CHEMICALS CORP. 2007-09-27 — — US disclosed
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