SCHEMBL5041711

SCHEMBL5041711

OCCC1=NOC(c2ccc(O)cc2)(c2cccs2)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
GRIN2B Q13224 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
SCHEMBL5041757 0.76 ADAM17 (0.45)
SCHEMBL5041707 0.76 LDHA (0.33) LDHALDHBGRIN2B
SCHEMBL5039479 0.71 CA2 (0.35)
SCHEMBL5036757 0.63 ATM (0.33)
SCHEMBL11283171 0.58 OPRM1 (0.49) LDHALDHB
SCHEMBL24177247 0.57 OPRM1 (0.34)
SCHEMBL150608 0.56
SCHEMBL6682839 0.55 HSD11B1 (0.39)
SCHEMBL6068113 0.55 CHRM2 (0.39)
SCHEMBL28482425 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628974-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2008-05-07 EP disclosed
EP-1628974-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004108086-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF TUMOR NECROSIS FACTOR-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed