SCHEMBL8996816

SCHEMBL8996816

COC(=O)c1ccccc1C(=O)C1CNCCN1C(=O)c1ccccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
HCRTR2 O43614 6/20 0.40
HCRTR1 O43613 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 1/20 0.38
CFTR P13569 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL8996790 0.77 OPRD1 (0.44) TSHRALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL1222635 0.76 RXFP1 (0.60) EPHX1EPHX2KDM4EMEN1KMT2A
SCHEMBL20872420 0.73 KMT2A (0.32) HCRTR2HCRTR1MEN1KMT2ASLC6A2
SCHEMBL11590269 0.72 SIGMAR1 (0.53)
SCHEMBL8661370 0.70 HTT (0.58) EPHX1EPHX2KDM4EMEN1KMT2A
SCHEMBL6242331 0.70 SMN1; SMN2 (0.47) KDM4EALDH1A1SMN1; SMN2
Dimethyl Phthalate SCHEMBL28064028 0.69 TSHR (0.71) KDM4EKMT2ASLC6A4LMNATSHR
Dimethyl Phthalate SCHEMBL27486580 0.69 TSHR (0.71) KDM4EKMT2ASLC6A4LMNATSHR
SCHEMBL3673027 0.68 DPP4 (0.37) SLC6A2SLC6A4LMNAHPGD
Dimethyl Phthalate SCHEMBL34630 0.67 TSHR (0.74) KDM4EKMT2ASLC6A4LMNATSHR

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
EP-0724568-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-08-07 EP disclosed
WO-1995003275-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 WO disclosed