SCHEMBL29176451

SCHEMBL29176451

OCC=CCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
CYP2C19 P33261 5/20 0.47
CYP1A2 P05177 5/20 0.47
CYP2C9 P11712 1/20 0.47
ACP3 P15309 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.41
MTNR1A P48039 1/20 0.40
CTNNB1 P35222 1/20 0.40
NQO2 P16083 1/20 0.40
NR1I2 O75469 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL1325661 0.82 TDP1 (0.48) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL10750285 0.81 MAOB (0.58) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL6027906 0.81 CYP2C19 (0.48) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL7924285 0.78 CYP2C19 (0.48) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL2136855 0.78 CYP2C19 (0.50) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL10499434 0.78 CYP1A2 (0.48) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL301409 0.78 CYP2C19 (0.48) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL6694933 0.78 CYP1A2 (0.48) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL1611481 0.78 CYP2C19 (0.50) HTTHPGDTDP1CYP2C19CYP1A2
SCHEMBL4229398 0.78 CYP2C19 (0.48) HTTHPGDTDP1CYP2C19CYP1A2

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
CN-114787283-B Composition for fiber-reinforced resin, and method for producing fiber-reinforced resin 荒川化学工业株式会社 2024-02-27 CN disclosed