SCHEMBL8022072

SCHEMBL8022072

CCc1cccc(C2CCCC2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.55
GABRB2 P47870 2/20 0.55
PTPN5 P54829 4/20 0.43
PTPN2 P17706 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
NAAA Q02083 1/20 0.39
KMT2A Q03164 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10772495 0.98 GABRA1 (0.53) GABRA1GABRB2PTPN5PTPN2PTGDR2
SCHEMBL2916746 0.98 GABRA1 (0.53) GABRA1GABRB2PTPN5PTPN2PTGDR2
SCHEMBL2047127 0.93 GABRA1 (0.59) GABRA1GABRB2PTPN5PTPN2KMT2A
SCHEMBL11598412 0.85 PTPN5 (0.39) GABRA1GABRB2PTPN5PTPN2PTGDR2
SCHEMBL4058553 0.84 PTGDR2 (0.41) PTPN5PTPN2PTGDR2NAAAKMT2A
SCHEMBL10788064 0.82 ALOX5 (0.44) HTR1DHTR1B
SCHEMBL27728789 0.82 PTGDR2 (0.40) PTPN5PTPN2PTGDR2NAAAKMT2A
SCHEMBL1998542 0.81 PTGDR2 (0.47) PTPN5PTPN2PTGDR2NAAATHRB
SCHEMBL27892012 0.81 PTGDR2 (0.40) GABRA1GABRB2PTPN5PTPN2PTGDR2
SCHEMBL12474580 0.81 PTGDR2 (0.44) PTGDR2NAAAKMT2AKDM4EMEN1

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
EP-0984912-A1 METHOD FOR CONTINUOUS PRODUCTION OF DIHYDROXYDIPHENYLALKANES Bayer Aktiengesellschaft (DE) 2000-03-15 EP disclosed
WO-1998052896-A1 METHOD FOR CONTINUOUS PRODUCTION OF DIHYDROXYDIPHENYLALKANES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-26 WO disclosed