SCHEMBL26208917

SCHEMBL26208917

OC1(c2ccccc2)c2ccc3c4c2c2c1ccc1c2c2c(ccc(c42)C3(O)c2ccccc2)C1(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
SCN9A Q15858 1/20 0.34
MAP3K14 Q99558 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C1 Q04828 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
POLB P06746 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL1758787 0.86 P2RX1 (0.53) P2RX1P2RX3P2RX4P2RX7THRB
SCHEMBL813078 0.79 THRB (0.52) P2RX1P2RX3P2RX4P2RX7THRB
SCHEMBL30345614 0.79 THRB (0.52) P2RX1P2RX3P2RX4P2RX7THRB
SCHEMBL7322303 0.79 P2RX1 (0.44) P2RX1P2RX3P2RX4P2RX7THRB
SCHEMBL17816933 0.77 THRB (0.50) P2RX1P2RX3P2RX4P2RX7THRB
SCHEMBL7316325 0.76 HSD17B10 (0.43) P2RX1P2RX3P2RX4P2RX7THRB
SCHEMBL4585510 0.75 MEN1 (0.46) P2RX1P2RX3P2RX4P2RX7TDP1
SCHEMBL824255 0.75 MEN1 (0.46) P2RX1P2RX3P2RX4P2RX7TDP1
SCHEMBL12968939 0.75 PDK2 (0.42) P2RX1P2RX3P2RX4P2RX7TDP1
SCHEMBL7317406 0.75 P2RX1 (0.46) P2RX1P2RX3P2RX4P2RX7THRB

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
US-20230280655-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-07 US disclosed
US-20230280655-A1 COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-07 US disclosed