SCHEMBL9549580

SCHEMBL9549580

CN(C)CCCCOP(=O)(O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
FDPS P14324 2/20 0.40
LPAR3 Q9UBY5 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
HTR1B P28222 1/20 0.38
USP2 O75604 1/20 0.38

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 0.90 USP2 (0.44) KDM4EFDPSSMN1; SMN2ALDH1A1MAPT
SCHEMBL9549726 0.86 FDPS (0.43) FDPSLPAR3LPAR1LPAR2SMN1; SMN2
Acetic Acid SCHEMBL9549688 0.77 RAD52 (0.53) KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL9549600 0.77 CHRM2 (0.44) KDM4E
SCHEMBL28904460 0.76 LPAR3 (0.54) LPAR3LPAR1LPAR2ALDH1A1
SCHEMBL9505701 0.75 POLB (0.46) ALDH1A1KMT2AACHE
SCHEMBL28355648 0.73 LPAR3 (0.75) LPAR3LPAR1LPAR2
SCHEMBL28359633 0.73 LPAR3 (0.75) LPAR3LPAR1LPAR2
Phosphoric Acid Monododecyl Ester SCHEMBL28355225 0.73 LPAR3 (0.75) LPAR3LPAR1LPAR2
SCHEMBL28359738 0.73 LPAR3 (0.75) LPAR3LPAR1LPAR2

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