SCHEMBL11348951

SCHEMBL11348951

Cc1c(O)ccc(CC2CO2)c1CC1CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
TYR P14679 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAOA P21397 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.33
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
ESR1 P03372 5/20 0.31
ESR2 Q92731 5/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SHBG P04278 1/20 0.30

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
SCHEMBL562766 0.84 PTPN1 (0.31) TYR
SCHEMBL1723856 0.82 ADRA2A (0.33) TYR
Ammonia Solution, Strong SCHEMBL29162669 0.82 TYR (0.30) TYR
SCHEMBL93641 0.81 ALDH1A1 (0.32) ALDH1A1GLAKDM4EGAAHPGD
SCHEMBL11348950 0.79 ACHE (0.30)
SCHEMBL7060131 0.79
SCHEMBL6660500 0.79 TDP1 (0.34) ALDH1A1GLA
SCHEMBL142162 0.79 TYR (0.33) TYR
SCHEMBL30037880 0.78 ERN1 (0.36) TYRALDH1A1GLAKDM4EGAA
SCHEMBL1673425 0.77 TDP1 (0.31) ALDH1A1

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
CN-1938876-A Organic electronic device and method of manufacturing such a device THIN FILM ELECTRONICS ASA (NO) 2007-03-28 CN disclosed
US-4246148-A ROOM TEMPERATURE CURABLE, WATERBASE PAINTS CELANESE CORPORATION (US) 1981-01-20 US disclosed