SCHEMBL6583472

SCHEMBL6583472

COc1ccc(C=O)cc1OC1CCC(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
PDE4B Q07343 13/20 0.50
PDE4D Q08499 6/20 0.50
PDE4A P27815 5/20 0.50
PDE4C Q08493 5/20 0.50
TTR P02766 1/20 0.50
FDPS P14324 1/20 0.43

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
SCHEMBL6583476 1.00 ALDH1A1 (0.53) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL22713946 0.88 ALDH1A1 (0.68) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL6883557 0.83 ALDH1A1 (0.66) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL7560477 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL70835 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL29808190 0.82 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL13522989 0.82 ALDH1A1 (0.68) ALDH1A1TSHRPDE4BTTRFDPS
SCHEMBL4637156 0.81 ALDH1A1 (0.62) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL498539 0.80 ALDH1A1 (0.60) ALDH1A1TSHRPDE4BPDE4DPDE4A
SCHEMBL7361245 0.79 ALDH1A1 (0.58) ALDH1A1TSHRPDE4BPDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928789-B1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2004-09-29 EP disclosed
US-6265402-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-07-24 US disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed