SCHEMBL2327993

SCHEMBL2327993

CCCCCSCCCCC.CCCCSCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
THRB P10828 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA2 P00918 1/20 0.48
TSHR P16473 2/20 0.47
CES1 P23141 5/20 0.43
FAAH O00519 4/20 0.43
PLA2G6 O60733 1/20 0.43
LMNA P02545 1/20 0.40
PRKD3 O94806 2/20 0.39
PRKCG P05129 2/20 0.39
PRKCB P05771 2/20 0.39
PRKCA P17252 2/20 0.39
PRKCH P24723 2/20 0.39

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
SCHEMBL198709 1.00 CES2 (0.50) CES2THRBGMNNTP53POLB
SCHEMBL199887 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL7153602 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL9862442 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
Dioctylsulfane SCHEMBL1358875 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL23034315 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL200628 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL198802 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL200096 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB
SCHEMBL9231864 0.97 CES2 (0.54) CES2THRBGMNNTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401989-B1 PROCESS FOR SULFUR REMOVAL FROM HYDROCARBON LIQUIDS GRACE W R & CO (US) 2011-08-17 EP disclosed
EP-1923450-A2 Process for sulfur removal from hydrocarbon liquids W.R. Grace & Co.-Conn. (US) 2008-05-21 EP disclosed
EP-1401989-A2 PROCESS FOR SULFUR REMOVAL FROM HYDROCARBON LIQUIDS W.R. Grace & Co.-Conn. (US) 2004-03-31 EP disclosed
US-6558533-B2 Contacting liquid with sponge nickel metal alloy, removing sulfur free liquid, regeneration of the alloy by contact with aqueous solution of oxidant W.R. GRACE & CO.-CONN 2003-05-06 US disclosed
US-20030019794-A1 Process for sulfur removal from hydrocarbon liquids W.R. GRACE & CO.-CONN. 2003-01-30 US disclosed
WO-2002083818-A2 PROCESS FOR SULFUR REMOVAL FROM HYDROCARBON LIQUIDS W.R. GRACE & CO.-CONN (US) 2002-10-24 WO disclosed