SCHEMBL11550682

SCHEMBL11550682

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
METAP2 P50579 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
GAA P10253 1/20 0.31
CA1 P00915 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TNF P01375 1/20 0.30
MAPT P10636 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
SCHEMBL11550679 0.84 CA1 (0.36) KMT2ACYP1A2POLBL3MBTL1KDM4C
SCHEMBL3715601 0.81 EPHX1 (0.49) EPHX1CA1CYP3A4TSHR
SCHEMBL11551971 0.81 EPHX1 (0.47) EPHX1ALDH1A1MAPT
SCHEMBL10592365 0.80 EPHX1 (0.44) EPHX1KDM4CKDM4APHF8KDM2A
SCHEMBL748705 0.77 EPHX1 (0.42) EPHX1KDM4CKDM4APHF8KDM2A
SCHEMBL17000165 0.74 CYP1A2 (0.53) KMT2ACYP1A2POLBKDM4CKDM4A
SCHEMBL29074095 0.74 CYP1A2 (0.53) KMT2ACYP1A2POLBKDM4CKDM4A
SCHEMBL19861152 0.74 CYP1A2 (0.53) KMT2ACYP1A2POLBKDM4CKDM4A
SCHEMBL15130566 0.74 CYP1A2 (0.53) KMT2ACYP1A2POLBKDM4CKDM4A
SCHEMBL4087075 0.74 CYP1A2 (0.53) KMT2ACYP1A2POLBKDM4CKDM4A

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