SCHEMBL9422997

SCHEMBL9422997

COC(C)OCOCCCCCCCCC=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
HIF1A Q16665 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
SCHEMBL9423019 0.79 LPAR3 (0.39) LPAR1LPAR3
SCHEMBL9423107 0.79 TBXAS1 (0.36) LPAR1LPAR3
SCHEMBL11259005 0.78 PRKD3 (0.42) LPAR1LPAR3
SCHEMBL8810628 0.77 TSHR (0.44) TSHRFAAHTRPV1LPAR1LPAR3
SCHEMBL8813126 0.77 TSHR (0.44) TSHRFAAHTRPV1LPAR1LPAR3
SCHEMBL7543622 0.77 TSHR (0.44) TSHRFAAHTRPV1LPAR1LPAR3
SCHEMBL8813527 0.77 TSHR (0.44) TSHRFAAHTRPV1LPAR1LPAR3
SCHEMBL8814288 0.77 TSHR (0.44) TSHRFAAHTRPV1LPAR1LPAR3
SCHEMBL8811143 0.77 TSHR (0.44) TSHRFAAHTRPV1LPAR1LPAR3
SCHEMBL8811977 0.77 TSHR (0.44) TSHRFAAHTRPV1LPAR1LPAR3

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