SCHEMBL7323366

SCHEMBL7323366

O=C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.44
FFAR1 O14842 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
FOLH1 Q04609 1/20 0.43
PKM P14618 1/20 0.43
SLC2A1 P11166 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
BRD4 O60885 1/20 0.42
HSD17B10 Q99714 2/20 0.42
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
HPGD P15428 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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 0.82 HTR1A (0.47) KMT2AMEN1MAPK1FOLH1MAPT
SCHEMBL2450503 0.81 KMT2A (0.57) KMT2AMAPK1PKMHPGDALDH1A1
SCHEMBL9774160 0.80 ALDH1A1 (0.65) KMT2AMEN1MAPK1FFAR1NPC1
SCHEMBL7318012 0.80 NAAA (0.44) KMT2ANPC1RAB9AHSD17B10HPGD
SCHEMBL19658177 0.79 KMT2A (0.50) KMT2AMAPK1PKMPOLBHPGD
SCHEMBL26851429 0.79 MTNR1A (0.55) KMT2AMEN1NPC1RAB9APKM
SCHEMBL3817639 0.78 FFAR4 (0.55) FFAR1NPC1RAB9AFOLH1SLC2A1
SCHEMBL7384707 0.78 HTT (0.51) KMT2AMEN1NPC1PKMMAPT
SCHEMBL31225579 0.78 FAAH (0.53) KMT2AMAPK1RAB9APKMHPGD
SCHEMBL31225984 0.77 KMT2A (0.46) KMT2AMAPK1PKMHPGDALDH1A1

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