SCHEMBL7945714

SCHEMBL7945714

O=C(CCCOc1ccc2ccc(=O)oc2c1)ON1C(=O)CCC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.56
▸ CA9 Q16790 6/20 0.56
▸ CA1 P00915 5/20 0.56
▸ CA6 P23280 3/20 0.56
▸ CA7 P43166 3/20 0.56
▸ CA14 Q9ULX7 3/20 0.56
▸ CA5B Q9Y2D0 3/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA4 P22748 2/20 0.56
▸ CA3 P07451 1/20 0.56
▸ CA5A P35218 2/20 0.53
▸ MAOB P27338 3/20 0.52
▸ MAOA P21397 2/20 0.52
▸ CYP1A2 P05177 1/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL7954015 0.83 MAOB (0.55) MAOBMAOADRD2DRD3KDM4E
SCHEMBL7954068 0.83 MCL1 (0.52) CA12CA9CA1CA6CA7
SCHEMBL7953867 0.83 MCL1 (0.52) CA12CA9CA1CA6CA7
SCHEMBL7952557 0.79 CA12 (0.69) CA12CA9CA1CA6CA7
SCHEMBL7956010 0.79 CA12 (0.69) CA12CA9CA1CA6CA7
SCHEMBL7945707 0.76 CYP2A6 (0.54) MAOB
SCHEMBL24045405 0.76 CA12 (0.82) CA12CA9CA1CA6CA7
SCHEMBL12304245 0.75 CA12 (0.81) CA12CA9CA1CA6CA7
SCHEMBL29383478 0.75 MAOA (0.60) CA9MAOBMAOACYP1A2KDM4E
SCHEMBL1520327 0.75 MAOA (0.60) CA9MAOBMAOACYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449602-A Polynucleotides AMOCO CORPORATION (US) 1995-09-12 — — US claimed
EP-0324616-B1 Template-directed photoligation AMOCO CORP (US) 1995-03-29 — — EP claimed
EP-0324616-A2 Template-directed photoligation AMOCO CORPORATION (US) 1989-07-19 — — EP claimed
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
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