SCHEMBL7945707

SCHEMBL7945707

O=C(CCCOc1cccc2oc(=O)ccc12)ON1C(=O)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 5/20 0.54
▸ KCNA3 P22001 4/20 0.54
▸ CYP3A4 P08684 2/20 0.47
▸ ALOX15 P16050 2/20 0.44
▸ KCNA5 P22460 1/20 0.39
▸ MAOB P27338 1/20 0.37
▸ BCL2 P10415 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ BAD Q92934 1/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ PSMB5 P28074 1/20 0.36

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
SCHEMBL7959194 0.80 KCNA3 (0.69) CYP2A6KCNA3CYP3A4ALOX15KCNA5
SCHEMBL8798424 0.79 CYP2A6 (0.66) CYP2A6KCNA3CYP3A4ALOX15KCNA5
SCHEMBL7954068 0.78 MCL1 (0.52) MCL1
SCHEMBL7953867 0.78 MCL1 (0.52) MCL1
SCHEMBL7945714 0.76 CA12 (0.56) MAOB
SCHEMBL9120110 0.76 CYP2A6 (0.64) CYP2A6KCNA3CYP3A4ALOX15KCNA5
SCHEMBL4136788 0.73 CYP2A6 (0.42) CYP2A6KCNA3CYP3A4ALOX15MCL1
SCHEMBL7954015 0.73 MAOB (0.55) MAOB
SCHEMBL14027459 0.70 MAPK1 (0.39) —
SCHEMBL11651179 0.69 KCNA3 (0.92) CYP2A6KCNA3CYP3A4ALOX15KCNA5

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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