SCHEMBL8084973

SCHEMBL8084973

CC1(C)C=C(n2ccccc2=O)c2cc(S(C)(=O)=O)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
EPHX1 P07099 1/20 0.34
PTGS2 P35354 6/20 0.32
BRD4 O60885 1/20 0.32
PTGS1 P23219 3/20 0.31
PARG Q86W56 1/20 0.31

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
SCHEMBL9475113 0.87 ESPL1 (0.37)
SCHEMBL4259456 0.86 BRD4 (0.47) BRD4
SCHEMBL5578429 0.85 CNR2 (0.35) PTGS2PTGS1
SCHEMBL4260102 0.84 ATM (0.45)
SCHEMBL8084219 0.83 KDM4E (0.36)
SCHEMBL8085076 0.82 NPSR1 (0.34)
SCHEMBL9796819 0.82 HRH4 (0.34)
SCHEMBL8077246 0.82 HSD11B1 (0.34)
SCHEMBL8084230 0.82 HRH4 (0.30)
SCHEMBL8088499 0.82 TP53 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed