SCHEMBL21346940

SCHEMBL21346940

CC1COc2cc3ccccc3cc2O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
CASP6 P55212 1/20 0.43
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL14543303 0.79 NISCH (0.48) POLB
SCHEMBL12401665 0.79 NISCH (0.48) POLB
SCHEMBL8347684 0.79 NISCH (0.48) POLB
SCHEMBL266615 0.79 NISCH (0.48) POLB
SCHEMBL406079 0.77 POLB (0.47) POLBCASP6ADRA1DADRA1AADRA1B
SCHEMBL3972506 0.76 GPR84 (0.37) POLBALDH1A1KDM4EHPGDMEN1
SCHEMBL1043313 0.76 AKR1B1 (0.40)
SCHEMBL8342640 0.74 POLB (0.52) POLBCASP6MAPTCYP1A2TDP1
SCHEMBL406459 0.73 POLB (0.43) POLBCASP6ADRA1DADRA1AADRA1B
SCHEMBL8344689 0.73 CA2 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A

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
US-20190276742-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC FILM, OPTICAL FILM, POLARIZING PLATE, IMAGE DISPLAY DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2019-09-12 US disclosed