SCHEMBL28124160

SCHEMBL28124160

C=Cc1ccccc1CC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 4/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
AGTR1 P30556 1/20 0.33
SCN9A Q15858 3/20 0.32
KMT2A Q03164 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRB2 P07550 3/20 0.31
ADRB1 P08588 3/20 0.31
HTR1A P08908 1/20 0.31
ADRB3 P13945 1/20 0.31
SLC6A2 P23975 1/20 0.31
BDKRB2 P30411 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL27484224 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL30917971 0.83 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL7056363 0.83 ALDH1A1 (0.36) ALDH1A1CYP1A2KDM4ELMNAADRA2C
SCHEMBL7903417 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHR
Glycerin SCHEMBL27533691 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP1A2KDM4ELMNA
SCHEMBL30480678 0.81 CYP3A4 (0.41) ALDH1A1CYP3A4CYP1A2KDM4ELMNA
SCHEMBL28177618 0.81 CYP3A4 (0.41) ALDH1A1CYP3A4CYP1A2KDM4ELMNA
Glycerin SCHEMBL6931928 0.80 ALDH1A1 (0.34) ALDH1A1CYP1A2KDM4ELMNAAGTR1
SCHEMBL5450381 0.79 ALDH1A1 (0.43) ALDH1A1CYP1A2KDM4ELMNAKMT2A
SCHEMBL6025866 0.78 ALDH1A1 (0.39) ALDH1A1CYP1A2KDM4ELMNAADRA2C

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-109328206-A Produce the method and thermoplastic elastomer (TPE) of thermoplastic elastomer (TPE) 帝斯曼知识产权资产管理有限公司 2019-02-12 CN disclosed
CN-106405711-A Polarizing plate and liquid crystal display device 日东电工株式会社 2017-02-15 CN disclosed