SCHEMBL9848362

SCHEMBL9848362

O=P(O)(O)OCCNCCc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.49
GAA P10253 2/20 0.48
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
CA9 Q16790 1/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
SIGMAR1 Q99720 5/20 0.42
CA4 P22748 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21172041 0.77 DRD4 (0.54) GAAANPEPMEN1KMT2AMAPT
SCHEMBL9549641 0.76 GAA (0.40) GAAS1PR4S1PR1S1PR3
SCHEMBL516899 0.75 TSHR (0.53) ANPEPERAP2CA12CA1CA2
SCHEMBL6250231 0.73 TSHR (0.52) ANPEPERAP2CA12CA1CA2
SCHEMBL11757960 0.73 TSHR (0.52) ANPEPERAP2CA12CA1CA2
SCHEMBL759323 0.72 LMNA (0.53)
SCHEMBL17859165 0.71 LPAR3 (0.44)
SCHEMBL9549811 0.71 USP2 (0.44) FDPSMAPTKCNH2
SCHEMBL5552741 0.71 L3MBTL1 (0.52) S1PR2S1PR4S1PR1S1PR3
SCHEMBL9505701 0.71 POLB (0.46) MEN1KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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