SCHEMBL27733355

SCHEMBL27733355

CCCCC=CCC(C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.42
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LPAR2 Q9HBW0 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
TERT O14746 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 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
SCHEMBL10495290 0.76 FAAH (0.48) GGPS1FAAHTRPV1F7F3
SCHEMBL23566850 0.76 FAAH (0.55) FAAHTRPV1F7F3TSHR
SCHEMBL93116 0.76 FAAH (0.55) FAAHTRPV1F7F3TSHR
SCHEMBL17262056 0.76 FAAH (0.55) FAAHTRPV1F7F3TSHR
SCHEMBL9133779 0.76 FAAH (0.55) FAAHTRPV1F7F3TSHR
SCHEMBL9133782 0.76 FAAH (0.55) FAAHTRPV1F7F3TSHR
SCHEMBL93117 0.76 FAAH (0.55) FAAHTRPV1F7F3TSHR
SCHEMBL1819433 0.73 GGPS1 (0.44) GGPS1FAAHTRPV1F7F3
SCHEMBL1819430 0.73 GGPS1 (0.44) GGPS1FAAHTRPV1F7F3
SCHEMBL25214228 0.73 FAAH (0.52) FAAHTRPV1F7F3TSHR

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
CN-101233186-B Halobutyl elastomers LANXESS INC 2013-01-02 CN disclosed
CN-101233186-A Halobutyl elastomers LANXESS INC (CA) 2008-07-30 CN disclosed