SCHEMBL2989869

SCHEMBL2989869

CCCCCCc1csc(B2OCCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.36
▸ LPL P06858 5/20 0.35
▸ LIPG Q9Y5X9 5/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HSPE1 P61604 1/20 0.33

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
SCHEMBL2986912 0.94 SKP2 (0.32) —
SCHEMBL14941616 0.83 LPL (0.40) PTGS2LPLLIPGCYP3A4ESR1
SCHEMBL868509 0.83 LPL (0.40) PTGS2LPLLIPGCYP3A4ESR1
SCHEMBL121471 0.78 LPL (0.56) PTGS2LPLLIPGCYP3A4ESR1
SCHEMBL15072065 0.78 LPL (0.56) PTGS2LPLLIPGCYP3A4ESR1
SCHEMBL31516134 0.78 LPL (0.56) PTGS2LPLLIPGCYP3A4ESR1
SCHEMBL27949745 0.77 LPL (0.45) PTGS2LPLLIPG
SCHEMBL9891143 0.77 LPL (0.55) PTGS2LPLLIPGCYP3A4SLC6A2
SCHEMBL7786829 0.73 LPL (0.60) PTGS2LPLLIPGCYP3A4ESR1
SCHEMBL17790460 0.72 PTGS2 (0.37) PTGS2LPLLIPGCYP3A4ESR1

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-7781761-B2 Substituted anthracenes and electronic devices containing the substituted anthracenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 — — US disclosed
US-7781761-B2 Substituted anthracenes and electronic devices containing the substituted anthracenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 — — US disclosed
US-7781761-B2 Substituted anthracenes and electronic devices containing the substituted anthracenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-24 — — US disclosed
US-20080210933-A1 SUBSTITUTED ANTHRACENES AND ELECTRONIC DEVICES CONTAINING THE SUBSTITUTED ANTHRACENES E. I. DU PONT DE NEMOURS AND COMPANY 2008-09-04 — — US disclosed
US-20080210933-A1 SUBSTITUTED ANTHRACENES AND ELECTRONIC DEVICES CONTAINING THE SUBSTITUTED ANTHRACENES E. I. DU PONT DE NEMOURS AND COMPANY 2008-09-04 — — US disclosed
US-20080210933-A1 SUBSTITUTED ANTHRACENES AND ELECTRONIC DEVICES CONTAINING THE SUBSTITUTED ANTHRACENES E. I. DU PONT DE NEMOURS AND COMPANY 2008-09-04 — — US disclosed
US-7355199-B2 Substituted anthracenes and electronic devices containing the substituted anthracenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-04-08 — — US disclosed
US-7355199-B2 Substituted anthracenes and electronic devices containing the substituted anthracenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-04-08 — — US disclosed
US-7355199-B2 Substituted anthracenes and electronic devices containing the substituted anthracenes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-04-08 — — US disclosed
US-20060131570-A1 Substituted anthracenes and electronic devices containing the substituted anthracenes E. I. DU PONT DE NEMOURS AND COMPANY 2006-06-22 — — US disclosed
WO-2006050496-A1 SUBSTITUTED ANTHRACENES AND ELECTRONIC DEVICES CONTAINING THE SUBSTITUTED ANTHRACENES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-05-11 — — WO disclosed
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