SCHEMBL9876667

SCHEMBL9876667

CCCCCS(=O)(=O)Cl.O=S(=O)(Cl)CCCCCl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.46
FAAH O00519 5/20 0.44
CA2 P00918 6/20 0.40
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.33

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
Methylene Chloride SCHEMBL27832890 0.90 FAAH (0.48) TSHRALDH1A1TDP1FAAHCA2
SCHEMBL9317 0.90
SCHEMBL28216244 0.87 TSHR (0.63) TSHRALDH1A1TDP1FAAHCA2
SCHEMBL11381720 0.87 FAAH (0.56) TSHRALDH1A1FAAHCA2CES1
SCHEMBL9834817 0.87 FAAH (0.56) TSHRALDH1A1FAAHCA2CES1
SCHEMBL1114761 0.87 FAAH (0.56) TSHRALDH1A1FAAHCA2CES1
SCHEMBL11411801 0.87 FAAH (0.56) TSHRALDH1A1FAAHCA2CES1
SCHEMBL11719482 0.87 FAAH (0.56) TSHRALDH1A1FAAHCA2CES1
SCHEMBL743460 0.87 FAAH (0.56) TSHRALDH1A1FAAHCA2CES1
SCHEMBL6649250 0.87 FAAH (0.50) TSHRALDH1A1FAAHCA2CES1

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-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed