SCHEMBL6981068

SCHEMBL6981068

CC1(C=O)C=CC=C(c2ccc(F)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.35
PTGS1 P23219 4/20 0.35
ALPL P05186 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL28958167 0.70 CYP2A6 (0.31)
SCHEMBL28029640 0.69
SCHEMBL6009919 0.67
SCHEMBL29048569 0.66
SCHEMBL28658397 0.62 HDAC1 (0.33) ALDH1A1
SCHEMBL4939750 0.61 NPC1 (0.33) ALDH1A1
SCHEMBL10468311 0.61 PTGS1 (0.34) PTGS2PTGS1ALPLALDH1A1
SCHEMBL30163529 0.61 NPC1 (0.32) ALDH1A1
SCHEMBL28540735 0.61 NPC1 (0.32) ALDH1A1
SCHEMBL28513177 0.61 NPC1 (0.32) ALDH1A1

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-1244446-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1244446-A1 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2002-10-02 EP disclosed
WO-2001039773-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-07 WO disclosed