SCHEMBL9447274

SCHEMBL9447274

CCCCCCCCCCCCCCc1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.76
ALOX15 P16050 6/20 0.76
KAT8 Q9H7Z6 2/20 0.65
PPARA Q07869 1/20 0.65
ESR1 P03372 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
TACR2 P21452 2/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
SLC6A3 Q01959 2/20 0.62
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
SHBG P04278 1/20 0.62
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
HSPD1 P10809 1/20 0.62
ADRB3 P13945 1/20 0.62

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
SCHEMBL29756353 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL68207 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL10352944 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL38660230 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL11616856 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL7761737 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL70343 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL2782711 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL11721061 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1
SCHEMBL30451791 1.00 IGF1R (0.76) IGF1RALOX15KAT8PPARAESR1

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-0239288-A1 Corrosion inhibition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP claimed
US-5215581-A COMPOSITION AND USE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-01 US disclosed
US-4760197-A Contacting surface of a metal with substituted hydroxybenzene IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US disclosed
EP-0239288-A1 Corrosion inhibition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP disclosed