SCHEMBL8958015

SCHEMBL8958015

CCN(CC)c1ccccc1C(O)(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NOX1 Q9Y5S8 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 2/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RARA P10276 1/20 0.36

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
SCHEMBL8958180 0.83 ALDH1A1 (0.44) NPC1RAB9AALDH1A1KCNH2TP53
SCHEMBL27424795 0.80 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL27669800 0.77 CRHBP (0.46) MEN1KMT2AALDH1A1TSHRHTR2A
SCHEMBL9564928 0.74 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9ANOX1
Potassium Ion SCHEMBL8957905 0.72 NR1H2 (0.35) KMT2AALDH1A1TSHRPOLBKDM4E
SCHEMBL9821084 0.72 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL1668024 0.71 TP53 (0.53) MEN1KMT2ANPC1RAB9ANOX1
Potassium Ion SCHEMBL8958393 0.70 ALDH1A1 (0.41) NPC1RAB9AALDH1A1TSHRLMNA
Potassium Ion SCHEMBL8958222 0.70 ALDH1A1 (0.41) NPC1RAB9AALDH1A1TSHRLMNA
SCHEMBL1818951 0.70 KMT2A (0.35) MEN1KMT2ANPC1RAB9ANOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535842-B1 Benzofuranones ZENECA LTD (GB) 1996-01-10 EP disclosed
US-5389597-A For dye diffusion thermal transfer printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-02-14 US disclosed
US-5268490-A With indan-1,3-dione and aminobenzene ring IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-07 US disclosed
EP-0535842-A1 Benzofuranones ZENECA LIMITED (GB) 1993-04-07 EP disclosed