SCHEMBL9550708

SCHEMBL9550708

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
VCAM1 P19320 9/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
PTGS1 P23219 2/20 0.42
GAA P10253 3/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL9550709 0.84 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8309788 0.84 VCAM1 (0.55) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9497169 0.84 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9550813 0.81 HPN (0.41) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9328168 0.81 PTGS1 (0.61) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL646924 0.81 ALOX15 (0.63) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9550714 0.80 HPN (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9154935 0.80 ALOX15 (0.57) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8336942 0.79 GAA (0.62) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9550716 0.78 HPN (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208262-A Administering 4-hydroxythiophenol derivatives G. D. SEARLE & CO. (US) 1993-05-04 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-0339688-B1 HYDROXYPHENYLTHIOALKYLKETONES G.D. Searle & Co. (US) 1993-03-10 EP disclosed
US-5047593-A Antiinflammatory And Antiallergy Agents G. D. SEARLE & CO. (US) 1991-09-10 US disclosed
EP-0339688-A1 Hydroxyphenylthioalkylketones G.D. Searle & Co. (US) 1989-11-02 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