SCHEMBL3744643

SCHEMBL3744643

C=CCc1ccccc1Oc1ccccc1CC=C.[NaH].[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ADRA2C P18825 4/20 0.46
HTR1A P08908 3/20 0.46
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
NISCH Q9Y2I1 1/20 0.46
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
VCAM1 P19320 1/20 0.46
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
LMNA P02545 2/20 0.45
ADRB3 P13945 1/20 0.45
SLC6A2 P23975 1/20 0.45
BDKRB2 P30411 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3730543 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL88415 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EADRA2CHTR1AADRA2A
Ethylene SCHEMBL173231 0.96 ALDH1A1 (0.49) ALDH1A1KDM4EADRA2CHTR1AADRA2A
Water SCHEMBL8939878 0.96 ALDH1A1 (0.49) ALDH1A1KDM4EADRA2CHTR1AADRA2A
Formaldehyde SCHEMBL4291615 0.94 ICAM1 (0.48) ALDH1A1KDM4EADRA2CHTR1AADRA2A
Ethylene Glycol SCHEMBL366742 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EADRA2CHTR1AADRA2A
Sulfuric Acid SCHEMBL9770145 0.89 ICAM1 (0.46) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL5369650 0.88 HRH1 (0.53) ALDH1A1KDM4EADRA2CHTR1AADRA2A
Oxirane SCHEMBL27501323 0.88 ADRB2 (0.50) ALDH1A1KDM4EADRA2CHTR1AADRA2A
SCHEMBL9352980 0.88 HRH1 (0.47) ALDH1A1KDM4EADRA2CHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671129-B2 thermoplastic resin blends demonstrating impact strength, nonhydrolyzing and resist to heat discoloration; co-monomers including methylmethacrylate, butadiene MITSUBISHI RAYON CO., LTD. (JP) 2010-03-02 US disclosed
US-20060217496-A1 Thermoplastic resin composition MITSUBISHI RAYON CO., LTD. (JP) 2006-09-28 US disclosed
EP-1602690-A1 THERMOPLASTIC RESIN COMPOSITION Mitsubishi Rayon Co., Ltd. (JP) 2005-12-07 EP disclosed