SCHEMBL11237005

SCHEMBL11237005

COC(=O)COC1=C([PH](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.34

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
Bromide SCHEMBL11141993 0.99 SMN1; SMN2 (0.39) SMN1; SMN2GLAMEN1KMT2APOLB
SCHEMBL11222122 0.97 SMN1; SMN2 (0.40) SMN1; SMN2GLAMEN1KMT2APOLB
SCHEMBL11236572 0.96 GLA (0.40) SMN1; SMN2GLAMEN1KMT2APOLB
Bromide SCHEMBL11147068 0.95 GLA (0.39) SMN1; SMN2GLAMEN1KMT2APOLB
SCHEMBL11227955 0.76 EGFR (0.33)
SCHEMBL11236299 0.74 CACNA1B (0.33)
SCHEMBL11227711 0.74 MAOB (0.39) SMN1; SMN2L3MBTL1MAPT
Bromide SCHEMBL11137501 0.73 CACNA1B (0.32)
SCHEMBL11142208 0.73 CA4 (0.32)
SCHEMBL11245133 0.71 CA4 (0.31)

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
US-4336252-A 1-Cycloalkyl phosphonium salts G. D. SEARLE & CO. (US) 1982-06-22 US claimed