SCHEMBL4309549

SCHEMBL4309549

CCCCCC(C[Na])CCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 2/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
FDPS P14324 4/20 0.36
GPR84 Q9NQS5 2/20 0.34
SPHK1 Q9NYA1 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
SCHEMBL11127035 0.92 ALDH1A1 (0.46) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL28131173 0.92 LMNA (0.59) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL6114313 0.92 LMNA (0.59) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL28040516 0.89 LMNA (0.56) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL11126017 0.85 ALDH1A1 (0.50) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL4072853 0.85 LMNA (0.57) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL8679451 0.85 LMNA (0.57) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL11125196 0.85
SCHEMBL11125536 0.83 ALDH1A1 (0.50) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL9304805 0.82 LMNA (0.62) LMNAOPRM1ALDH1A1TDP1DNM1

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
WO-2009127559-A1 SOLUBLE SODIUM ALKYLS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS INITIATORS BASF SE (DE) 2009-10-22 WO claimed
WO-2009127559-A1 SOLUBLE SODIUM ALKYLS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS INITIATORS BASF SE (DE) 2009-10-22 WO disclosed