SCHEMBL28351124

SCHEMBL28351124

NCc1ccc(C(=O)[O-])cn1.NCc1ccc(C(=O)[O-])cn1.[Pt+2]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 3/20 0.44
▸ CA1 P00915 13/20 0.37
▸ CA2 P00918 13/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRE P78334 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ GABRG1 Q8N1C3 1/20 0.36
▸ GABRG3 Q99928 1/20 0.36
▸ GABRQ Q9UN88 1/20 0.36
▸ NNMT P40261 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
SCHEMBL28531994 0.91 P4HTM (0.41) P4HTMCA1CA2GABRPGABRD
SCHEMBL16853368 0.82 RXFP1 (0.41) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL6456069 0.81 GABRP (0.57) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL27536580 0.81 KCNJ1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31906275 0.81 GABRP (0.57) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL5234177 0.81 NNMT (0.57) GABRA5NNMTSMN1; SMN2
Hydrochloric Acid SCHEMBL1244450 0.79 GABRP (0.55) P4HTMGABRPGABRDGABRA1GABRB1
Potassium Ion SCHEMBL2772919 0.79 P4HTM (0.49) P4HTMCA1CA2P4HA1MIF
Lithium Ion SCHEMBL29745202 0.79 P4HTM (0.45) P4HTMCA1CA2P4HA1MIF
Lithium Ion SCHEMBL28671339 0.79 P4HTM (0.41) P4HTMCA1CA2GABRPGABRD

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-112142749-A Perilla alcohol derivatives, pharmaceutical compositions and uses thereof NeOnc技术股份有限公司 2020-12-29 — — CN disclosed
CN-107613768-B Pharmaceutical composition comprising perillyl alcohol derivative NeOnc技术股份有限公司 2020-10-20 — — CN disclosed
CN-105078973-B Pharmaceutical composition comprising POH derivative 尼昂克技术公司 2020-10-09 — — CN disclosed
CN-110769831-A Pharmaceutical compositions comprising POH derivatives and methods of use 尼昂克技术公司 2020-02-07 — — CN disclosed
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