Sugi Predict

Sugi Predict / Compounds / SCHEMBL14201212

SCHEMBL14201212

SCHEMBL14201212

CCCCN(CCC(C)(C)C)S(=O)(=O)CCCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.33
▸ ESR2 Q92731 1/20 0.32
▸ CES1 P23141 5/20 0.31
▸ FAAH O00519 3/20 0.31
▸ CES2 O00748 2/20 0.31
▸ BMP1 P13497 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ EDNRB P24530 1/20 0.30
▸ EDNRA P25101 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
SCHEMBL14200206 0.92 CES1 (0.32) CNR2CES1FAAHCES2
SCHEMBL14200360 0.92 CA1 (0.35) EDNRBEDNRA
SCHEMBL14229598 0.92 CNR2 (0.36) CNR2ESR2CES1FAAHCES2
SCHEMBL14229175 0.89 CA1 (0.38) CNR2ESR2CES1FAAHCES2
SCHEMBL14200218 0.89 CNR2 (0.39) CNR2ESR2BMP1
SCHEMBL14200354 0.87 CNR2 (0.38) CNR2ESR2CES1FAAHCES2
SCHEMBL14229019 0.86 CNR2 (0.33) CNR2BMP1
SCHEMBL14200355 0.85 CNR2 (0.40) CNR2CES1FAAHCES2BMP1
SCHEMBL14200202 0.85 CNR2 (0.33) CNR2ESR2BMP1
SCHEMBL14200221 0.84 CES1 (0.33) ESR2CES1

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed