SCHEMBL11236299

SCHEMBL11236299

CC(C)=CCOC1=C([PH](c2ccccc2)(c2ccccc2)c2ccccc2)CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MAOB P27338 2/20 0.32
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
CSNK2A1 P68400 2/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
NDUFS8 O00217 1/20 0.31
COXFA4 O00483 1/20 0.31
NDUFAB1 O14561 1/20 0.31
NDUFA1 O15239 1/20 0.31
NDUFS4 O43181 1/20 0.31
NDUFB5 O43674 1/20 0.31
NDUFB3 O43676 1/20 0.31
NDUFC1 O43677 1/20 0.31

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 SCHEMBL11137501 0.99 CACNA1B (0.32) CACNA1BADRA2AADRA2BADRA2CADRA1D
SCHEMBL11225526 0.97 NDUFS8 (0.33) CACNA1BADRA2AADRA2BADRA2CADRA1D
SCHEMBL11232289 0.96 NDUFS8 (0.33) CACNA1BADRA2AADRA2BADRA2CADRA1D
Bromide SCHEMBL11240464 0.95 NDUFS8 (0.32) CACNA1BADRA2AADRA2BADRA2CADRA1D
SCHEMBL11227711 0.75 MAOB (0.39) MAOB
SCHEMBL11237005 0.74 SMN1; SMN2 (0.40)
SCHEMBL11227955 0.74 EGFR (0.33)
Bromide SCHEMBL11141993 0.73 SMN1; SMN2 (0.39)
SCHEMBL11236301 0.72 KDM1A (0.30)
SCHEMBL11233344 0.72 MAOB (0.39) MAOB

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