SCHEMBL9711407

SCHEMBL9711407

O=P(O)(O)C(NCCCl)P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.35
CA12 O43570 6/20 0.32
CA9 Q16790 2/20 0.32
MMP2 P08253 5/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA14 Q9ULX7 3/20 0.31
MMP8 P22894 3/20 0.31
MMP14 P50281 2/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 2/20 0.31
ANPEP P15144 2/20 0.31
MMP9 P14780 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
SCHEMBL731378 0.83 MMP2 (0.39) TYMSCA12CA9MMP2KDM4E
SCHEMBL9792360 0.78 ANPEP (0.36) TYMSMMP8ANPEP
SCHEMBL285956 0.76 CA12 (0.33) TYMSCA12CA9MMP2KDM4E
SCHEMBL17187190 0.76 S1PR2 (0.40) TYMSCA12CA9MMP2KDM4E
(Propylamino)Methylenediphosphonic Acid SCHEMBL8817761 0.74 MMP2 (0.50) MMP2ANPEPMMP9
SCHEMBL9509171 0.73 FDPS (0.30)
SCHEMBL9792361 0.72 FDPS (0.43) ANPEP
SCHEMBL10710751 0.72 LAP3 (0.32) CA12CA9MMP2KDM4ETHRB
SCHEMBL10613308 0.72 ANPEP (0.34) TYMSCA12CA9MMP2KDM4E
SCHEMBL8761864 0.72 FDPS (0.48) CA12CA9MMP2KDM4ETHRB

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-0273107-B1 ALPHA-AMINOMETHYLENE PHOSPHONATE BETAINES AND POLYMERS PREPARED THEREWITH National Starch and Chemical Investment Holding Corporation (US) 1992-12-09 EP disclosed
US-4996045-A In copolymer, tolerance of non-halogenated hydrocarbons NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-02-26 US disclosed
US-4778865-A ANTISOILANTS, CHELATE COMPOUNDS, ANTIDEPOSIT AGENTS, ENHANCED OIL RECOVERY NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-10-18 US disclosed
EP-0273107-A2 Alpha-aminomethylene phosphonate betaines and polymers prepared therewith National Starch and Chemical Investment Holding Corporation (US) 1988-07-06 EP disclosed
US-4707306-A MONOMERS FOR POLYMERS USED AS ANTIDEPOSIT AGENTS FOR SOILS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1987-11-17 US disclosed