SCHEMBL8834366

SCHEMBL8834366

CC(C)(C)c1cc(SCCCC2OCCO2)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CPT1B Q92523 1/20 0.41
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 4/20 0.36
VCAM1 P19320 4/20 0.35
PTGS2 P35354 4/20 0.35
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL8702044 0.81 ALOX15 (0.59) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8492523 0.80 ALOX15 (0.57) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8493361 0.80 ALOX15 (0.57) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8492285 0.80 ALOX15 (0.57) HPNMAPTALOX15SIRT5TDP1
SCHEMBL11279591 0.80 ALOX15 (0.57) HPNMAPTALOX15SIRT5TDP1
SCHEMBL646924 0.78 ALOX15 (0.63) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8834596 0.77 MAPT (0.53) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8699143 0.77 HPN (0.53) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8530578 0.76 ALOX15 (0.49) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8834359 0.75 MAPT (0.52) HPNMAPTALOX15SIRT5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635514-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & COMPANY (US) 1997-06-03 US disclosed
WO-1996012703-A1 HETEROALKYL AND HETEROARYLTHIOALKYL THIOPHENOLIC COMPOUNDS AS 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1996-05-02 WO disclosed