SCHEMBL9549600

SCHEMBL9549600

CC(C)N(CCOP(=O)(O)O)C(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
LTA4H P09960 1/20 0.40
MCHR1 Q99705 11/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HTR2C P28335 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 1/20 0.34
PIN1 Q13526 1/20 0.33

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
SCHEMBL9549811 0.84 USP2 (0.44) CHRM2CHRM1CHRM3LTA4HKDM4E
SCHEMBL27256342 0.81 LPAR3 (0.42) CHRM2CHRM1CHRM3
SCHEMBL9549580 0.77 KDM4E (0.44) KDM4E
Acetic Acid SCHEMBL9549665 0.77 CHRM1 (0.53) CHRM2CHRM1CHRM3LTA4HMCHR1
SCHEMBL9549726 0.75 FDPS (0.43) CHRM2CHRM1CHRM3CYP3A4
SCHEMBL9505701 0.75 POLB (0.46) POLBCYP3A4TDP1KCNH2
SCHEMBL27739919 0.72 LTA4H (0.47) CHRM2CHRM1CHRM3LTA4HMCHR1
SCHEMBL9549846 0.72 TDP1 (0.44) CHRM2CHRM1CHRM3LTA4HKDM4E
SCHEMBL9549664 0.72 MEN1 (0.56) CHRM2CHRM1CHRM3LTA4HKDM4E
SCHEMBL9549641 0.71 GAA (0.40) KDM4EPOLBCYP3A4TDP1PIN1

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
US-5208317-A Molding materials of cured epoxy resins THE DOW CHEMICAL COMPANY (US) 1993-05-04 US disclosed
US-5109099-A ADVANCING EPOXY RESINS IN PRESENCE OF AMINO GROUP-CONTAINING PHOSPHONIUM CATALYST THE DOW CHEMICAL COMPANY (US) 1992-04-28 US disclosed
EP-0441243-A2 Precatalyzed catalyst compositions, process for preparing epoxy resins, curable compositions, articles resulting from curing the resultant compositions THE DOW CHEMICAL COMPANY (US) 1991-08-14 EP disclosed
US-4981926-A Rapid and selective curing using phosphonium catalyst containing an amine group; polyepoxides THE DOW CHEMICAL COMPANY (US) 1991-01-01 US disclosed