SCHEMBL11550554

SCHEMBL11550554

CC(C)CCCCCC(S)C(=O)[O-].CC(C)CCCCCC(S)C(=O)[O-].CC(C)CCCCCC(S)C(=O)[O-].CC(C)CCCCCC(S)C(=O)[O-].COC(=O)CC[Sn+2]CCC(=O)OC.COC(=O)CC[Sn+2]CCC(=O)OC.[S-2].[S-2].[S-2].[S-2]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 4/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CA1 P00915 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL11551579 1.00 L3MBTL1 (0.35) L3MBTL1TSHRKDM4CKDM4APHF8
SCHEMBL11555069 1.00 L3MBTL1 (0.35) L3MBTL1TSHRKDM4CKDM4APHF8
SCHEMBL11504927 0.99 L3MBTL1 (0.36) L3MBTL1TSHRKDM4CKDM4APHF8
SCHEMBL11552355 0.88 CA2 (0.41) L3MBTL1TSHRCA1MEN1POLB
SCHEMBL11556119 0.86 LMNA (0.40) CA1
SCHEMBL5830228 0.85 L3MBTL1 (0.38) L3MBTL1TSHRKDM4CKDM4APHF8
SCHEMBL5829997 0.84 L3MBTL1 (0.35) L3MBTL1TSHRKDM4CKDM4APHF8
SCHEMBL5829535 0.83 CA1 (0.35) KDM4CKDM4APHF8KDM2ACA1
SCHEMBL6138229 0.82 CA1 (0.35) KDM4CKDM4APHF8KDM2ACA1
SCHEMBL9777634 0.82 DGKA (0.38) L3MBTL1CA1NPSR1

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-4146518-A ORGANOTIN COMPOUNDS ARGUS CHEMICAL CORPORATION (US) 1979-03-27 US disclosed