SCHEMBL9550709

SCHEMBL9550709

CCC(=O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
VCAM1 P19320 11/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
KMT2A Q03164 1/20 0.39
PTGS1 P23219 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
SCHEMBL9550708 0.84 HPN (0.47) HPNMAPTALOX15SIRT5LMNA
SCHEMBL4397391 0.83 HPN (0.53) HPNMAPTALOX15SIRT5LMNA
SCHEMBL9119059 0.83 MAPT (0.53) HPNMAPTALOX15SIRT5LMNA
SCHEMBL9411884 0.81 ALDH1A1 (0.56) HPNMAPTALOX15SIRT5LMNA
SCHEMBL9551145 0.81 HDAC3 (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL6909367 0.79 HPN (0.42) HPNMAPTALOX15SIRT5LMNA
SCHEMBL8309677 0.79 MAPT (0.49) HPNMAPTALOX15SIRT5LMNA
SCHEMBL8309680 0.79 HPN (0.49) HPNMAPTALOX15SIRT5LMNA
SCHEMBL9507433 0.78 MAPT (0.61) HPNMAPTALOX15SIRT5LMNA
SCHEMBL6909365 0.78 HPN (0.41) HPNMAPTALOX15SIRT5LMNA

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 11 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
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-0218782-B1 LIPOXYGENASE-INHIBITING COMPOSITION AND HYDROXYPHENYLTHIOALKYLCARBONYL COMPOUNDS G.D. Searle & Co. (US) 1990-05-16 EP disclosed
EP-0339688-A1 Hydroxyphenylthioalkylketones G.D. Searle & Co. (US) 1989-11-02 EP 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