SCHEMBL9831339

SCHEMBL9831339

CC(=O)Oc1c(C(C)(C)C)cc(Nc2cnc(C)cn2)cc1C(C)(C)C.CC(=O)Oc1c(C(C)(C)C)cc(Nc2cncnc2)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.33
GCK P35557 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
GRM5 P41594 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
SCHEMBL9125512 0.92 SYK (0.37) SYKGCKPTGS1PTGS2GRM5
SCHEMBL9122090 0.87 ALDH1A1 (0.36) PTGS1PTGS2
SCHEMBL9830610 0.81 WNT3A (0.39) PTGS1PTGS2
SCHEMBL9123205 0.78 RAB9A (0.41)
SCHEMBL9124269 0.77 VCAM1 (0.33) PTGS1PTGS2
SCHEMBL9122485 0.75 BACE1 (0.38)
SCHEMBL9123927 0.75 MKNK1 (0.39)
SCHEMBL9120095 0.73 KDR (0.35)
SCHEMBL9120151 0.73 DGAT1 (0.32) PTGS1PTGS2
SCHEMBL9123013 0.72 NPC1 (0.42)

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-0425650-A1 ANTI-INFLAMMATORY 4-AMINOPHENOL DERIVATIVES. FISONS PLC (GB) 1991-05-08 EP disclosed
WO-1990014338-A1 ANTI-INFLAMMATORY 4-AMINOPHENOL DERIVATIVES FISONS PLC (GB) 1990-11-29 WO disclosed