SCHEMBL7954015

SCHEMBL7954015

Cc1cc(=O)oc2cc(OCCCC(=O)ON3C(=O)CCC3=O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.55
▸ MAOA P21397 2/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ GLA P06280 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ AR P10275 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ ACHE P22303 2/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ DRD3 P35462 1/20 0.52

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
SCHEMBL2802894 0.88 ALDH1A1 (0.62) KDM4EKMT2AALDH1A1MAPTAR
SCHEMBL29270309 0.84 MAOA (0.65) MAOBMAOAKDM4EKMT2AALDH1A1
SCHEMBL7945714 0.83 CA12 (0.56) MAOBMAOAKDM4EKMT2AALDH1A1
SCHEMBL9204774 0.81 KMT2A (0.66) MAOBMAOAKDM4EKMT2AALDH1A1
SCHEMBL29677221 0.81 KMT2A (0.66) MAOBMAOAKDM4EKMT2AALDH1A1
SCHEMBL6588397 0.77 KMT2A (0.61) MAOBMAOAKDM4EKMT2AALDH1A1
SCHEMBL28026514 0.77 MAOB (0.70) MAOBMAOAKDM4EKMT2AALDH1A1
SCHEMBL6591353 0.77 MAOB (0.70) MAOBMAOAKDM4EKMT2AALDH1A1
SCHEMBL10063475 0.77 MAOB (0.74) MAOBMAOAKDM4EKMT2AALDH1A1
SCHEMBL8093680 0.76 ALDH1A1 (0.67) MAOBMAOAKDM4EKMT2AALDH1A1

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 7 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
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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