SCHEMBL7102445

SCHEMBL7102445

NC(=O)CCC(C(N)=O)c1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
EPHX1 P07099 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
SLC6A3 Q01959 3/20 0.34
DRD3 P35462 2/20 0.34
LMNA P02545 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
EDNRB P24530 1/20 0.34
MAPK1 P28482 1/20 0.34
MC4R P32245 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL27892969 0.92 TSHR (0.38) KMT2ATSHREPHX1GABRA1GABRB2
Hydrochloric Acid SCHEMBL326727 0.83 TSHR (0.39) TSHREPHX1GABRA1GABRB2KDM4E
SCHEMBL11100628 0.81 KMT2A (0.38) KMT2ATSHREPHX1KDM4EALDH1A1
SCHEMBL11078508 0.81 HTT (0.39) KMT2AEPHX1KDM4EMMP2MMP9
SCHEMBL11078265 0.81 GAA (0.43) KMT2AEPHX1ALDH1A1MMP2MMP9
SCHEMBL11082535 0.81 ALDH1A1 (0.41) KMT2AEPHX1ALDH1A1MMP2MMP9
SCHEMBL11080114 0.81 KMT2A (0.38) KMT2ATSHREPHX1GABRA1GABRB2
SCHEMBL11075944 0.81 CXCL8 (0.39) KMT2AEPHX1MAPTLMNAMEN1
SCHEMBL28949776 0.80 EPHX1 (0.42) KMT2ATSHREPHX1KDM4EALDH1A1
SCHEMBL11079168 0.80 KMT2A (0.38) KMT2AEPHX1GABRA1GABRB2MAPT

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-1278912-A2 HYDROXY-PHENOXYETHER POLYMERS IN PAPERMAKING Advanced Plastics Technologies, Ltd (GB) 2003-01-29 EP disclosed
WO-2001046523-A2 HYDROXY-PHENOXYETHER POLYMERS IN PAPERMAKING ADVANCED PLASTICS TECHNOLOGIES, LTD. (GB) 2001-06-28 WO disclosed