SCHEMBL9249596

SCHEMBL9249596

CCOP(=O)(NC(=O)O)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NR1I2 O75469 1/20 0.37

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
SCHEMBL14644434 0.89 L3MBTL1 (0.41) NPSR1TSHRCA12CA1CA2
SCHEMBL28345996 0.81 TSHR (0.40) NPSR1TSHRCA12CA1CA2
SCHEMBL11024087 0.80 TSHR (0.43) NPSR1TSHRCA12CA1CA2
SCHEMBL29079460 0.74 L3MBTL1 (0.54) ALDH1A1
SCHEMBL7055459 0.73 TDP1 (0.38) NPSR1TSHRCA12CA1CA2
SCHEMBL11616938 0.73 NPSR1 (0.41) NPSR1TSHRCA12CA1CA2
SCHEMBL25961881 0.73 CA12 (0.46) NPSR1TSHRCA12CA1CA2
SCHEMBL184419 0.73 NPSR1 (0.37) NPSR1TSHRCA12CA1CA2
SCHEMBL787495 0.72 KDM4E (0.41) NPSR1TSHRCA12CA1CA2
SCHEMBL11659481 0.72 NPSR1 (0.40) NPSR1TSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391730-A An immunsuppressantes, antiinflammatory agents, fungicides, antitumor agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US claimed
CN-119317617-A Gamma-hydroxybutyrate delivery compounds and methods of making and using the same 泽夫拉治疗公司 2025-01-14 CN disclosed
CN-119095832-A Gamma-hydroxybutyrate delivery compounds and methods of making and using the same 泽夫拉治疗公司 2024-12-06 CN disclosed
CN-119095833-A Gamma-hydroxybutyrate delivery compounds and methods of making and using the same 泽夫拉治疗公司 2024-12-06 CN disclosed
CN-118974001-A Gamma-hydroxybutyrate delivery compounds and methods of making and using the same 泽夫拉治疗公司 2024-11-15 CN disclosed
US-5455249-A Antirejection agent, immunosuppressant, fungicide, antitumor agent WYETH 1995-10-03 US disclosed
US-5391730-A An immunsuppressantes, antiinflammatory agents, fungicides, antitumor agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 US disclosed