SCHEMBL7754100

SCHEMBL7754100

C=CCc1ccccc1OCC(O)CO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
ADRB2 P07550 8/20 0.67
ADRB1 P08588 5/20 0.67
LMNA P02545 3/20 0.67
ADRB3 P13945 3/20 0.67
CYP1A2 P05177 3/20 0.67
HTR1A P08908 2/20 0.67
ADRA2C P18825 1/20 0.67
SLC6A2 P23975 1/20 0.67
BDKRB2 P30411 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
HTR2B P41595 1/20 0.67
KCNH2 Q12809 1/20 0.67
CYP2D6 P10635 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
KDM4E B2RXH2 3/20 0.65
PMP22 Q01453 1/20 0.65
TDP1 Q9NUW8 1/20 0.65

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
SCHEMBL31377987 1.00 ALDH1A1 (0.70) ALDH1A1ADRB2ADRB1LMNAADRB3
SCHEMBL7723798 0.86 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1LMNAADRB3
SCHEMBL11125855 0.86 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1LMNAADRB3
SCHEMBL12386628 0.85 ALDH1A1 (0.71) ALDH1A1ADRB2ADRB1LMNAADRB3
Hydrochloric Acid SCHEMBL10605670 0.85 ALDH1A1 (0.67) ALDH1A1ADRB2ADRB1LMNAADRB3
Glycerin SCHEMBL11385068 0.84 ALDH1A1 (0.54) ALDH1A1ADRB2ADRB1LMNAADRB3
SCHEMBL3380213 0.84 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1LMNAADRB3
SCHEMBL9066767 0.84 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1LMNAADRB3
SCHEMBL17024146 0.83 ALDH1A1 (0.60) ALDH1A1ADRB2ADRB1LMNAADRB3
SCHEMBL5132485 0.83 ADRB2 (0.68) ALDH1A1ADRB2ADRB1LMNAADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4247415-A GLYCEROL ALKYLPHENYL ETHER NIPPON OIL COMPANY, LTD. (JP) 1981-01-27 US claimed
JP-54075441-A None JP disclosed
CN-103890014-B For the emulsifying agent of letex polymerization DAI-ICHI KOGYO SEIYAKU CO.,LTD. (JP) 2016-01-20 CN disclosed
CN-103890014-A Emulsifying agent for emulsion polymerization DAI ICHI KOGYO SEIYAKU CO LTD 2014-06-25 CN disclosed
EP-1080173-A1 LIQUID HARD SURFACE CLEANER RINSE RHODIA INC. (US) 2001-03-07 EP disclosed
WO-2000012662-A1 LIQUID HARD SURFACE CLEANER RINSE RHODIA INC. (US) 2000-03-09 WO disclosed
WO-1999060085-A1 LIQUID HARD SURFACE CLEANER RINSE RHODIA INC. (US) 1999-11-25 WO disclosed
US-4311618-A Cleanser with ionic and nonionic surfactants SCHAEFER BURKHARD WERNER 1982-01-19 US disclosed
US-4247415-A GLYCEROL ALKYLPHENYL ETHER NIPPON OIL COMPANY, LTD. (JP) 1981-01-27 US disclosed
JP-S5475441-A RUST PREVENTING ADDITIVE AND COMPOSITION THEREOF NIPPON OIL CO LTD 1979-06-16 JP disclosed
US-3975324-A VULCANIZABLE POLYURETHANE ELASTOMER AMERICAN CYANAMID COMPANY (US) 1976-08-17 US disclosed
JP-S05475441-A 0001-01-01 JP disclosed