SCHEMBL9059767

SCHEMBL9059767

C=C(C)C(=O)OC(C)C(CCCCCCCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
FAAH O00519 5/20 0.39
LMNA P02545 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
CA1 P00915 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
MAPT P10636 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
SCHEMBL17358266 0.82 TSHR (0.55) TSHRFAAHLMNATRPV1CNR1
SCHEMBL27503194 0.81 TSHR (0.41) TSHRFAAHLMNATRPV1CNR1
SCHEMBL300866 0.81 FAAH (0.57) TSHRFAAHLMNACNR1CNR2
SCHEMBL1138575 0.81 FAAH (0.57) TSHRFAAHLMNACNR1CNR2
SCHEMBL5070394 0.81 FAAH (0.57) TSHRFAAHLMNACNR1CNR2
SCHEMBL19614589 0.81 FAAH (0.57) TSHRFAAHLMNACNR1CNR2
SCHEMBL11195272 0.81 FAAH (0.57) TSHRFAAHLMNACNR1CNR2
SCHEMBL1138701 0.81 FAAH (0.57) TSHRFAAHLMNACNR1CNR2
SCHEMBL2312371 0.81 FAAH (0.57) TSHRFAAHLMNACNR1CNR2
SCHEMBL28988573 0.81 FAAH (0.57) TSHRFAAHLMNACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8029741-A None JP disclosed
JP-H0829741-A MATERIAL FOR HARD CONTACT LENS AND HARD CONTACT LENS HOYA CORP 1996-02-02 JP disclosed