SCHEMBL11577852

SCHEMBL11577852

O=C1CCC(=O)N1C(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
TSHR P16473 2/20 0.54
HPGD P15428 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
AKR1C1 Q04828 1/20 0.53
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 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
SCHEMBL31047697 0.79 BCHE (0.56) BCHETSHRHPGDRAB9AMEN1
SCHEMBL15255939 0.79 CA12 (0.47) HPGDRAB9AMEN1KMT2ANPC1
Ethylene SCHEMBL8518097 0.78 TSHR (0.64) BCHETSHRHPGDRAB9AMEN1
SCHEMBL669626 0.77 KMT2A (0.54) BCHEHPGDRAB9AKMT2ANPC1
SCHEMBL7837528 0.77 TSHR (0.53) BCHETSHRHPGDRAB9AMEN1
SCHEMBL8349346 0.77 TSHR (0.68) TSHRHPGDRAB9AMEN1KMT2A
SCHEMBL4310722 0.77 TSHR (0.84) TSHRHPGDRAB9AMEN1KMT2A
SCHEMBL18825258 0.76 SMN1; SMN2 (0.63) HPGDRAB9AMEN1KMT2ACES2
SCHEMBL1231850 0.76 CES2 (0.49) TSHRHPGDRAB9AMEN1KMT2A
SCHEMBL28011523 0.75 ALDH1A1 (0.52) BCHETSHRHPGDRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4120809-A Washing and bleaching with composition containing bleach activator and a nitrilotricarboxylic acid compound COLGATE-PALMOLIVE COMPANY (US) 1978-10-17 US disclosed
US-3969257-A Washing and bleaching composition containing bleach, activator and a nitrilotricarboxylic acid compound COLGATE-PALMOLIVE COMPANY (US) 1976-07-13 US disclosed