Sugi Predict

Sugi Predict / Compounds / SCHEMBL9316073

SCHEMBL9316073

SCHEMBL9316073

CCCCCCCCCCCCCCCCCCNC(=O)CCCCC(S)CCS

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.56
▸ DNM1 Q05193 2/20 0.55
▸ FAAH O00519 6/20 0.54
▸ NAAA Q02083 1/20 0.53
▸ EPHX2 P34913 3/20 0.50
▸ SLC6A5 Q9Y345 2/20 0.49
▸ NOD1 Q9Y239 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL20883500 0.94 DNM1 (0.50) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL11702121 0.92 CASP2 (0.61) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL11706375 0.92 CASP2 (0.61) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL2582843 0.89 DNM1 (0.45) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL7296865 0.89 FAAH (0.57) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL18474874 0.87 NAMPT (0.48) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL16312532 0.87 PTPN1 (0.43) CASP2DNM1FAAHNAAAEPHX2
SCHEMBL2581324 0.87 EPHX2 (0.48) EPHX2
SCHEMBL3337710 0.85 EPHX2 (0.47) EPHX2
SCHEMBL16312508 0.85 SLC6A5 (0.49) DNM1SLC6A5

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-5318987-A Used for prophylaxis and treats coronary, circulatory and vascular diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-07 — — US disclosed