SCHEMBL8616070

SCHEMBL8616070

CC(=O)Nc1ccccc1OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
USP2 O75604 1/20 0.50
PDE3A Q14432 1/20 0.50
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 3/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
INPPL1 O15357 1/20 0.47
INPP5B P32019 1/20 0.47
INPP5A Q14642 1/20 0.47
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
SRC P12931 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL8616068 0.88 BRD4 (0.55) BRD4HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL3197880 0.84 ALDH1A1 (0.45) BRD4HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL6073098 0.83 BRD4 (0.51) BRD4HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL9008034 0.81 HPGD (0.53) HSD17B10ALDH1A1HPGDKDM4EUSP2
SCHEMBL25214306 0.80 INPPL1 (0.52) HSD17B10ALDH1A1HPGDKDM4EUSP2
SCHEMBL3182066 0.80 ALDH1A1 (0.47) HSD17B10ALDH1A1HPGDKDM4EUSP2
SCHEMBL10901328 0.80 HSD17B10 (0.54) BRD4HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL30892502 0.80 BRD4 (0.62) BRD4HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL10822262 0.80 BRD4 (0.62) BRD4HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL9287644 0.78 HSD17B10 (0.68) BRD4HSD17B10ALDH1A1HPGDKDM4E

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
EP-0759171-B1 PARACETAMOL PHOSPHATE FOR IMMUNOASSAYS CAMBRIDGE LIFE SCIENCES (GB) 1998-04-15 EP disclosed
EP-0759171-A1 PARACETAMOL PHOSPHATE FOR IMMUNOASSAYS CAMBRIDGE LIFE SCIENCES PLC (GB) 1997-02-26 EP disclosed
WO-1995031724-A1 PARACETAMOL PHOSPHATE FOR IMMUNOASSAYS CAMBRIDGE LIFE SCIENCES PLC (GB) 1995-11-23 WO disclosed
US-4591582-A Organophosphorus compounds useful as anticonvulsant agents RESEARCH CORPORATION (US) 1986-05-27 US disclosed
EP-0159636-A1 Organophosphorus compounds and a pharmaceutical composition containing same Research Corporation (US) 1985-10-30 EP disclosed