SCHEMBL11550679

SCHEMBL11550679

CC(C)CCCCCSCCC(=O)[O-].CC(C)CCCCCSCCC(=O)[O-].CC(C)CCCCCSCCC(=O)[O-].CCOC(=O)CC[Sn+3]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
BHMT Q93088 1/20 0.31
ABL1 P00519 1/20 0.31
TSHR P16473 1/20 0.31
RIN1 Q13671 1/20 0.31
KDM4C Q9H3R0 2/20 0.30
KDM4A O75164 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
GAA P10253 1/20 0.30
NFKB1 P19838 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
SCHEMBL11550682 0.84 EPHX1 (0.36) CA1KMT2ACYP1A2POLBL3MBTL1
SCHEMBL3715599 0.83 GPR84 (0.42) CA1POLBGPR84BHMTNFKB1
SCHEMBL17472939 0.81 CA1 (0.50) CA1GPR84BHMTKDM4CKDM4A
SCHEMBL10592362 0.81 CA1 (0.50) CA1GPR84BHMTKDM4CKDM4A
SCHEMBL11551966 0.78 DGKA (0.45) POLB
SCHEMBL748704 0.78 CA1 (0.47) CA1GPR84BHMTKDM4CKDM4A
SCHEMBL11600712 0.76 CA1 (0.44) CA1GPR84BHMTKDM4CKDM4A
SCHEMBL7346328 0.74 EPHX1 (0.41) KMT2ACYP1A2POLBL3MBTL1ABL1
SCHEMBL8501640 0.74 GPR84 (0.41) CA1POLBGPR84BHMTNFKB1
SCHEMBL17000165 0.73 CYP1A2 (0.53) KMT2ACYP1A2POLBTSHRKDM4C

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