SCHEMBL7952557

SCHEMBL7952557

O=C(O)CCCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.69
CA9 Q16790 9/20 0.69
CA1 P00915 8/20 0.69
CA6 P23280 4/20 0.69
CA7 P43166 4/20 0.69
CA14 Q9ULX7 4/20 0.69
CA4 P22748 4/20 0.69
CA5B Q9Y2D0 3/20 0.69
CA2 P00918 3/20 0.69
CA3 P07451 2/20 0.69
CA5A P35218 2/20 0.65
MAOB P27338 5/20 0.63
MAOA P21397 4/20 0.63
KDM4E B2RXH2 4/20 0.60
CYP1A2 P05177 1/20 0.60
MTNR1A P48039 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.58

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
SCHEMBL24045405 0.85 CA12 (0.82) CA12CA9CA1CA6CA7
SCHEMBL12304245 0.85 CA12 (0.81) CA12CA9CA1CA6CA7
SCHEMBL14329540 0.84 KDM4E (0.72) CA12CA9CA1CA6CA7
SCHEMBL29862974 0.84 KDM4E (0.72) CA12CA9CA1CA6CA7
SCHEMBL11946742 0.84 CA12 (0.85) CA12CA9CA1CA6CA7
SCHEMBL31086741 0.83 CA12 (0.66) CA12CA9CA1CA6CA7
SCHEMBL15510534 0.83 CA12 (0.69) CA12CA9CA1CA6CA7
SCHEMBL20364005 0.83 CA12 (0.69) CA12CA9CA1CA6CA7
SCHEMBL7956010 0.83 CA12 (0.69) CA12CA9CA1CA6CA7
SCHEMBL14634452 0.82 CA12 (0.83) CA12CA9CA1CA6CA7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306587-B1 APPARATUS OF VESSEL FOR RECEIVING SAMPLE AND TWO PROBES, EACH HAVING FUNCTIONAL GROUPS CAPABLE OF REACTING WITH EACH OTHER TO FORM COVALENT BOND; LIGHT SOURCE TO ACTIVATE GROUPS; AND DETECTOR TO DETECT REACTION PRODUCT VYSIS, INC. 2001-10-23 US disclosed
US-5686243-A DETECTING POLYNUCLEOTIDE SEQUENCES; HYBRIDIZATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-11-11 US disclosed
US-5449602-A Polynucleotides AMOCO CORPORATION (US) 1995-09-12 US disclosed
EP-0324616-B1 Template-directed photoligation AMOCO CORP (US) 1995-03-29 EP disclosed
EP-0324616-A2 Template-directed photoligation AMOCO CORPORATION (US) 1989-07-19 EP disclosed