SCHEMBL8604607

SCHEMBL8604607

CCOP(=O)(OCC)OC(CNCCO)P(=O)(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PPARD Q03181 2/20 0.34
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
ANPEP P15144 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL9709548 0.88 PPARD (0.37) PPARDGAACYP3A4CYP2C9CYP2C19
SCHEMBL19420896 0.81 TSHR (0.46) TSHRPPARDGAACYP3A4CYP2C9
SCHEMBL19405868 0.73 TSHR (0.38) TSHRPPARDGAAPOLB
SCHEMBL19405741 0.73 TSHR (0.38) TSHRPPARDGAAPOLB
SCHEMBL8604465 0.73 MEN1 (0.47) GAAPOLBANPEP
SCHEMBL8606663 0.71 GAA (0.41) TSHRGAA
SCHEMBL8603774 0.69 ANPEP (0.41) TSHRPOLBANPEP
SCHEMBL1394238 0.67 PPARD (0.42) TSHRPPARDGAACYP3A4CYP2C9
SCHEMBL31222198 0.65 SMPD1 (0.37) CYP3A4
SCHEMBL15532056 0.65 PPARD (0.65) TSHRPPARDGAACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590009-B1 DIALKYL (DIALKOXYPHOSPHINYL)METHYL PHOSPHATES AS ANTI-INFLAMMATORY AGENTS UPJOHN CO (US) 1998-03-18 EP claimed
US-5347029-A Dialkyl (dialkoxyphosphinyl)methyl phosphates as anti-inflammatory agents THE UPJOHN COMPANY (US) 1994-09-13 US claimed
EP-0590009-B1 DIALKYL (DIALKOXYPHOSPHINYL)METHYL PHOSPHATES AS ANTI-INFLAMMATORY AGENTS UPJOHN CO (US) 1998-03-18 EP disclosed
US-5347029-A Dialkyl (dialkoxyphosphinyl)methyl phosphates as anti-inflammatory agents THE UPJOHN COMPANY (US) 1994-09-13 US disclosed
EP-0590009-A1 DIALKYL (DIALKOXYPHOSPHINYL)METHYL PHOSPHATES AS ANTI-INFLAMMATORY AGENTS PHARMACIA & UPJOHN COMPANY (US) 1994-04-06 EP disclosed