SCHEMBL27714879

SCHEMBL27714879

C=C(c1ccccc1)P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 2/20 0.39
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
KMO O15229 1/20 0.35
POLB P06746 2/20 0.35
ELANE P08246 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL20955841 0.77 MCL1 (0.43) RAB9ANPC1MCL1SMN1; SMN2KMO
SCHEMBL6937935 0.76 MCL1 (0.35) RAB9ANPC1MCL1SMN1; SMN2LMNA
SCHEMBL15364571 0.75 GRM5 (0.44) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL377393 0.74 RAB9A (0.37) RAB9ANPC1MCL1SMN1; SMN2LMNA
SCHEMBL30989518 0.73 RAB9A (0.33) RAB9ANPC1MCL1SMN1; SMN2LMNA
SCHEMBL15364436 0.73 GRM5 (0.45) RAB9ANPC1SMN1; SMN2LMNAPOLB
SCHEMBL28414399 0.72 MCL1 (0.42) RAB9ANPC1MCL1SMN1; SMN2KMO
SCHEMBL15364449 0.72 ESR1 (0.36) RAB9ANPC1MCL1SMN1; SMN2LMNA
SCHEMBL8419261 0.72 MEN1 (0.39) RAB9ANPC1MCL1SMN1; SMN2LMNA
SCHEMBL6939059 0.70 MEN1 (0.38) RAB9ANPC1MCL1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101263150-B Process for the monosulfonation of aromatic phosphines, and zwitterionic product derived therefrom DOW GLOBAL TECHNOLOGIES INC 2013-01-02 CN disclosed
CN-101263150-A Process for the monosulfonation of aromatic phosphines, and zwitterionic product derived therefrom DOW GLOBAL TECHNOLOGIES INC (US) 2008-09-10 CN disclosed