SCHEMBL9422995

SCHEMBL9422995

CCOC(OC)OCCCCCCCCC=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31

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
SCHEMBL11259010 0.79 DNM1 (0.45) TSHRTHRBLPAR1LPAR3
SCHEMBL9423013 0.78 CNR1 (0.43) LPAR1LPAR3
SCHEMBL14670792 0.78 LMNA (0.46) TSHRFAAHTRPV1MAPTHIF1A
SCHEMBL9423104 0.78 PTPN1 (0.39) MAPT
SCHEMBL9422915 0.76 THRB (0.39) TSHRTHRBMAPTLPAR1LPAR3
SCHEMBL9045834 0.75 THRB (0.34) THRB
SCHEMBL9045458 0.75 THRB (0.34) THRB
SCHEMBL8798078 0.74 ALDH1A1 (0.53) TSHRMAPT
SCHEMBL25338044 0.72 TSHR (0.46) TSHRFAAHTRPV1HIF1A
SCHEMBL4915037 0.72 TSHR (0.46) TSHRFAAHTRPV1HIF1A

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-5336436-A Quick response HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-09 US disclosed