SCHEMBL9550804

SCHEMBL9550804

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALOX15 P16050 2/20 0.52
HPN P05981 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS1 P23219 4/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
GAA P10253 1/20 0.40
VCAM1 P19320 4/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL9550805 1.00 MAPT (0.52) MAPTALOX15HPNSIRT5CA2
SCHEMBL9328124 0.84 ALOX15 (0.57) MAPTALOX15HPNSIRT5CA2
SCHEMBL9507433 0.80 MAPT (0.61) MAPTALOX15HPNSIRT5CA2
SCHEMBL5692187 0.77 ALOX15 (0.63) MAPTALOX15HPNSIRT5CA2
SCHEMBL646924 0.77 ALOX15 (0.63) MAPTALOX15HPNSIRT5CA2
SCHEMBL9154935 0.77 ALOX15 (0.57) MAPTALOX15HPNSIRT5CA2
SCHEMBL10817343 0.76 MAPT (0.61) MAPTALOX15HPNSIRT5CA2
SCHEMBL8309159 0.74 ALOX15 (0.59) MAPTALOX15HPNSIRT5CA2
SCHEMBL8702044 0.74 ALOX15 (0.59) MAPTALOX15HPNSIRT5CA2
SCHEMBL8699143 0.74 HPN (0.53) MAPTALOX15HPNSIRT5CA2

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
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
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-0218782-A1 Lipoxygenase-inhibiting composition and hydroxyphenylthioalkylcarbonyl compounds G.D. Searle & Co. (US) 1987-04-22 EP disclosed