Sugi Predict

Sugi Predict / Compounds / SCHEMBL5503798

SCHEMBL5503798

SCHEMBL5503798

CCCCOC(=O)NC(CCC(=O)O)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 2/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ ACHE P22303 10/20 0.41
▸ CTSK P43235 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38

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
SCHEMBL283254 0.79 HRH3 (0.48) PLA2G2CEPHX1
SCHEMBL288502 0.79 HRH3 (0.48) PLA2G2CEPHX1
SCHEMBL26626453 0.79 HRH3 (0.48) PLA2G2CEPHX1
SCHEMBL5199721 0.78 SMN1; SMN2 (0.40) EPHX1ACHE
SCHEMBL7447157 0.78 FOLH1 (0.51) —
SCHEMBL16124669 0.77 NOD1 (0.51) PLA2G2CEPHX1EPHX2
SCHEMBL10036530 0.75 NOD1 (0.53) PLA2G2CEPHX1EPHX2
SCHEMBL7006306 0.75 KMT2A (0.49) PLA2G2CEPHX2
SCHEMBL6168369 0.75 KMT2A (0.49) PLA2G2CEPHX2
SCHEMBL4631032 0.75 EPHX1 (0.42) PLA2G2CEPHX1EPHX2ACHECTSK

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
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 — — EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 — — WO disclosed