SCHEMBL9550813

SCHEMBL9550813

CC(O)(CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC(=O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
VCAM1 P19320 11/20 0.40
PTGS1 P23219 1/20 0.39
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9551132 0.87 HPN (0.40) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9551134 0.84 THRB (0.33) CA2TDP1
SCHEMBL9550708 0.81 HPN (0.47) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9551123 0.79 PTPN1 (0.36) ALDH1A1
SCHEMBL9497169 0.78 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8309788 0.78 VCAM1 (0.55) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9328168 0.76 PTGS1 (0.61) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL646924 0.75 ALOX15 (0.63) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9550714 0.74 HPN (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8336942 0.73 GAA (0.62) HPNMAPTALOX15SIRT5VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338595-B1 HYDROXYPHENYLTHIOALKYLKETOALCOHOLS G.D. Searle & Co. (US) 1992-07-22 EP claimed
US-5047593-A Antiinflammatory And Antiallergy Agents G. D. SEARLE & CO. (US) 1991-09-10 US claimed
US-5229421-A Antiallergens, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5208262-A Administering 4-hydroxythiophenol derivatives G. D. SEARLE & CO. (US) 1993-05-04 US disclosed
EP-0338595-B1 HYDROXYPHENYLTHIOALKYLKETOALCOHOLS G.D. Searle & Co. (US) 1992-07-22 EP disclosed
US-5047593-A Antiinflammatory And Antiallergy Agents G. D. SEARLE & CO. (US) 1991-09-10 US disclosed
EP-0338595-A1 Hydroxyphenylthioalkylketoalcohols G.D. Searle & Co. (US) 1989-10-25 EP disclosed
US-4857558-A ANTIINFLAMMATORY AGENTS AND-OR ANTIALLERGENS G. D. SEARLE & CO. (US) 1989-08-15 US disclosed
EP-0218782-A1 Lipoxygenase-inhibiting composition and hydroxyphenylthioalkylcarbonyl compounds G.D. Searle & Co. (US) 1987-04-22 EP disclosed