SCHEMBL7318012

SCHEMBL7318012

O=C(Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
S1PR1 P21453 2/20 0.43
S1PR5 Q9H228 2/20 0.43
PRKX P51817 1/20 0.43
ACVR1 Q04771 1/20 0.43
MAOB P27338 8/20 0.43
FAAH O00519 1/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
GRM5 P41594 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7314478 0.87 HTR1A (0.47) HPGDALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL5446276 0.80 L3MBTL1 (0.53) MAOBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3813849 0.80 PTGER1 (0.54) MAOBHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7323366 0.80 KMT2A (0.46) S1PR5HPGDALDH1A1NPC1RAB9A
SCHEMBL9840655 0.77 L3MBTL1 (0.49) S1PR1S1PR5PRKXACVR1MAOB
SCHEMBL862827 0.75 NR4A1 (0.57) NAAAMAOBFAAHALDH1A1NPC1
SCHEMBL2450503 0.75 KMT2A (0.57) HPGDALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL20954694 0.75 MTNR1A (0.48) MAOBHPGDALDH1A1NPC1NFKB1
SCHEMBL6247717 0.74 MAOB (0.60) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3023243 0.74 MAOB (0.51) MAOBL3MBTL1NR4A2CYP1A2

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-5218000-A Nervous system disorders, antiischemic agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-06-08 US disclosed
EP-0361687-A1 Therapeutic polyamine-amides BTG INTERNATIONAL LIMITED (GB) 1990-04-04 EP disclosed
EP-0360437-A1 Biocidal polylamine-amides BTG INTERNATIONAL LIMITED (GB) 1990-03-28 EP disclosed
WO-1990001875-A1 BIOCIDAL POLYAMINE-AMIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-08 WO disclosed
WO-1990002114-A1 THERAPEUTIC POLYAMINE-AMIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-08 WO disclosed