SCHEMBL27685493

SCHEMBL27685493

Cc1ccc(C)c(-c2cccc(C(C)(C)C)c2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.55
▸ GABRB2 P47870 1/20 0.55
▸ CA2 P00918 3/20 0.52
▸ PTPN5 P54829 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ S1PR4 O95977 3/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL2911757 0.82 GABRA1 (0.68) GABRA1GABRB2CA2PTPN5ALDH1A1
SCHEMBL2210615 0.82 CA2 (0.76) GABRA1GABRB2CA2PTPN5ALDH1A1
SCHEMBL19813870 0.79 TRPA1 (0.48) CA2ALDH1A1TDP1POLBSMN1; SMN2
SCHEMBL2169751 0.79 GABRA1 (0.42) GABRA1GABRB2CA2ALDH1A1TDP1
SCHEMBL2917008 0.77 CA2 (0.57) GABRA1GABRB2CA2PTPN5ALDH1A1
SCHEMBL5570177 0.76 CA2 (0.55) GABRA1GABRB2CA2ALDH1A1POLB
SCHEMBL1503511 0.73 CA2 (0.61) GABRA1GABRB2CA2PTPN5ALDH1A1
SCHEMBL21905691 0.73 CA2 (0.68) GABRA1GABRB2CA2ALDH1A1TDP1
SCHEMBL12128896 0.73 CA2 (0.61) GABRA1GABRB2CA2PTPN5ALDH1A1
SCHEMBL8775719 0.72 ALDH1A1 (0.48) GABRA1GABRB2CA2ALDH1A1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001887-B Multi-branched polymer and method for producing same NIPPON SODA CO.,LTD. (JP) 2012-02-08 — — CN disclosed
CN-101593852-B Multibranched polymers and process for production thereof NIPPON SODA CO 2011-03-02 — — CN disclosed
CN-101593852-A Multibranched polymers and manufacture method thereof NIPPON SODA CO (JP) 2009-12-02 — — CN disclosed
CN-101001887-A Multi-branched polymer and method for producing same NIPPON SODA CO (JP) 2007-07-18 — — CN disclosed
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