SCHEMBL25280688

SCHEMBL25280688

Oc1ccc(C2(c3ccc(O)cc3C3CCCCC3)c3ccccc3-c3ccccc32)c(C2CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.43
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
PTPN5 P54829 2/20 0.35
PTPN2 P17706 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34

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
SCHEMBL10438722 0.77 DYRK1A (0.54) ESR1ESR2CDK5CDK5R1PTGDR2
SCHEMBL2864864 0.76 ESR1 (0.44) PDK2ESR1ESR2PTPN5PTPN2
SCHEMBL382817 0.75 ESR1 (0.54) PDK2ESR1ESR2PTPN5PTPN2
SCHEMBL29445693 0.75 ESR1 (0.54) PDK2ESR1ESR2PTPN5PTPN2
SCHEMBL699293 0.75 ESR1 (0.43) ESR1ESR2
SCHEMBL27392595 0.75 PDK2 (0.65) PDK2ESR1ESR2CDK5CDK5R1
SCHEMBL15845412 0.75 PDK2 (0.65) PDK2ESR1ESR2CDK5CDK5R1
SCHEMBL6292675 0.75 PDK2 (0.65) PDK2ESR1ESR2CDK5CDK5R1
SCHEMBL12339874 0.73 PDK2 (0.38) PDK2ESR1ESR2PTPN5PTPN2
SCHEMBL9540995 0.73 DYRK1A (0.44) PDK2ESR1ESR2PTPN5PTPN2

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-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed