SCHEMBL7721763

SCHEMBL7721763

C[C]C(c1cccc(C2CCCCC2)c1O)c1cccc(C2CCCCC2)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 3/20 0.37
▸ PTPN5 P54829 4/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ PTGS1 P23219 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
SCHEMBL9135944 0.82 FEN1 (0.41) FEN1PTPN5PTPN2PTGDR2ALOX5AP
SCHEMBL11163642 0.80 GABRA1 (0.55) FEN1PTPN5PTPN2ALOX5APHTR1A
SCHEMBL15253060 0.80 FEN1 (0.40) FEN1PTPN5PTPN2PTGDR2ALOX5AP
SCHEMBL7721762 0.78 HDAC4 (0.37) CYP1A2GABRA1GABRB2HIF1AKMT2A
SCHEMBL4958862 0.77 PTPN5 (0.46) FEN1PTPN5PTPN2PTGDR2ALOX5AP
SCHEMBL4958978 0.77 PTPN5 (0.46) FEN1PTPN5PTPN2PTGDR2ALOX5AP
SCHEMBL201425 0.77 PTPN5 (0.46) FEN1PTPN5PTPN2PTGDR2ALOX5AP
SCHEMBL4960398 0.77 PTPN5 (0.46) FEN1PTPN5PTPN2PTGDR2ALOX5AP
SCHEMBL4959318 0.77 PTPN5 (0.46) FEN1PTPN5PTPN2PTGDR2ALOX5AP
SCHEMBL4618238 0.76 PTGDR2 (0.41) FEN1PTPN5PTPN2PTGDR2PTGS2

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-6388044-B1 THERMOSETTING POLYETHER; CROSSLINKING BY HEATING SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-14 — — US disclosed
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