SCHEMBL23407863

SCHEMBL23407863

CC(C)COC(=O)CN(CC(=O)OCC(C)C)C(CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 9/20 0.59
▸ CA2 P00918 9/20 0.59
▸ CA9 Q16790 9/20 0.59
▸ CA12 O43570 6/20 0.59
▸ CA14 Q9ULX7 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ FKBP1A P62942 3/20 0.53
▸ ELF3 P78545 2/20 0.51
▸ MED23 Q9ULK4 2/20 0.51
▸ HTR3A P46098 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ ADORA1 P30542 1/20 0.49
▸ PTGER3 P43115 1/20 0.49

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
SCHEMBL23407853 0.91 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL23407864 0.90 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL23407852 0.87 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL23407865 0.86 CA1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL23407854 0.83 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL12185010 0.83 CA9 (0.70) CA1CA2CA9CA12CA14
SCHEMBL13219607 0.82 CA1 (0.72) CA1CA2CA9CA12CA14
SCHEMBL24606377 0.81 CA9 (0.69) CA1CA2CA9CA12CA14
SCHEMBL15910186 0.81 CA1 (0.68) CA1CA2CA9CA12CA14
SCHEMBL12800346 0.81 CA9 (0.70) CA1CA2CA9CA12CA14

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-20210156867-A1 QUINOLINE BASED CYANINE DYE TURN-ON FLUORESCENT PROBES AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-05-27 — — US disclosed
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