SCHEMBL9670504

SCHEMBL9670504

OCC(CO)CCCc1ccc(CCCC(CO)CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SHBG P04278 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSPD1 P10809 1/20 0.35
ADRB3 P13945 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL19258910 0.89 TDP1 (0.46) PPARGPPARASLC6A3IGF1RALOX15
SCHEMBL10712129 0.89 TDP1 (0.50) SLC6A3IGF1RALOX15
SCHEMBL11014472 0.88 ESR1 (0.55) ESR1ALDH1A1LMNAADRA2AADORA3
SCHEMBL743000 0.85 HRH1 (0.47) ALDH1A1LMNACYP3A4HIF1AHSD17B10
SCHEMBL19232391 0.84 RARB (0.45) ALDH1A1HSD17B10FDFT1
SCHEMBL19824586 0.84 FDFT1 (0.53) FDFT1
SCHEMBL6779846 0.84 TDP1 (0.50) SLC6A3
SCHEMBL10571640 0.83 LMNA (0.47) ESR1ALDH1A1LMNAADRA2AADORA3
SCHEMBL19226789 0.83 FDFT1 (0.48) FDFT1IGF1RALOX15
SCHEMBL17193506 0.83 RARB (0.44) ALDH1A1HSD17B10FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed