SCHEMBL11089435

SCHEMBL11089435

CCCCCCCCCCCCCCCCCC[S+]([O-])CCCO

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 2/20 0.38
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
DNM1 Q05193 3/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
FDPS P14324 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
SCHEMBL18279522 1.00 LMNA (0.55) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL28186220 1.00 LMNA (0.55) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL18279501 1.00 LMNA (0.55) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL18279536 1.00 LMNA (0.55) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL6220049 0.98 SMN1; SMN2 (0.52) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL11449115 0.91 LMNA (0.48) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL18279514 0.91 LMNA (0.48) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL3841950 0.91 LMNA (0.48) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL18279512 0.91 LMNA (0.48) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL18279534 0.91 LMNA (0.48) LMNAALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050327-B1 PHOSPHOLIPIDS THAT CONTAIN SULPHUR, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1984-06-20 EP disclosed
US-4444766-A ANTITUMOR BOEHRINGER MANNHEIM GMBH (DE) 1984-04-24 US disclosed
EP-0050327-A1 Phospholipids that contain sulphur, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1982-04-28 EP disclosed