SCHEMBL7208095

SCHEMBL7208095

CCCCCSNC(CSSCC(NSCCCCC)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NOD1 Q9Y239 3/20 0.37
▸ HDAC2 Q92769 1/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ PLA2G5 P39877 2/20 0.36
▸ GPR84 Q9NQS5 3/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ ZDHHC20 Q5W0Z9 1/20 0.34
▸ ZDHHC2 Q9UIJ5 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
SCHEMBL7208119 1.00 MAPT (0.38) MAPTGMNNTP53POLBTHRB
SCHEMBL10896691 0.83 MAPT (0.43) MAPTGMNNTP53POLBTHRB
SCHEMBL6058015 0.77 KDM4E (0.44) MAPTTHRBBLMNOD1HDAC2
SCHEMBL8915722 0.77 KDM4E (0.44) MAPTTHRBBLMNOD1HDAC2
SCHEMBL5261301 0.77 EPHX1 (0.42) MAPTGMNNTP53POLBTHRB
SCHEMBL5261302 0.77 EPHX1 (0.42) MAPTGMNNTP53POLBTHRB
SCHEMBL3045784 0.75 NOD1 (0.46) MAPTNOD1PLA2G2APLA2G5GPR84
SCHEMBL3045787 0.75 NOD1 (0.46) MAPTNOD1PLA2G2APLA2G5GPR84
SCHEMBL3045780 0.75 NOD1 (0.46) MAPTNOD1PLA2G2APLA2G5GPR84
SCHEMBL10488513 0.74 NOD1 (0.48) MAPTNOD1PLA2G2APLA2G5GPR84

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
EP-1064259-B1 N,N'-Diacylthiocystines ASTRAZENECA AB (SE) 2003-01-29 — — EP disclosed
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