SCHEMBL9549641

SCHEMBL9549641

CC(C)(C)NCCOP(=O)(O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR4 O95977 3/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR5 Q9H228 3/20 0.34
PIN1 Q13526 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 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
SCHEMBL22141938 0.81 LPAR3 (0.42) GAAALDH1A1KDM4EPOLB
Acetic Acid SCHEMBL9549682 0.77 GAA (0.43) GAAALDH1A1KDM4EPOLBCYP3A4
SCHEMBL9848362 0.76 FDPS (0.49) GAAS1PR4S1PR1S1PR3
SCHEMBL9505701 0.75 POLB (0.46) ALDH1A1POLBCYP3A4TDP1TSHR
SCHEMBL9549811 0.75 USP2 (0.44) ALDH1A1KDM4EPOLBCYP3A4TDP1
SCHEMBL11037016 0.74 KIF11 (0.49) PIN1TSHR
SCHEMBL9549831 0.72 CYP3A4 (0.44) GAAALDH1A1KDM4ECYP3A4TDP1
SCHEMBL9549531 0.72 TDP1 (0.44) GAAALDH1A1KDM4ECYP3A4TDP1
SCHEMBL9549580 0.71 KDM4E (0.44) ALDH1A1KDM4E
SCHEMBL9549600 0.71 CHRM2 (0.44) 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