SCHEMBL7554875

SCHEMBL7554875

CCCCCCCCCC1=CCC(C)(O)C(C)=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
CYP19A1 P11511 1/20 0.33
BACE1 P56817 1/20 0.33
PTGS2 P35354 3/20 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
CYP3A4 P08684 1/20 0.33
HSPD1 P10809 1/20 0.33
ADRB3 P13945 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
SCHEMBL10875599 0.71 LIPG (0.36) ACHELIPGCYP19A1BACE1PTGS2
SCHEMBL15541295 0.71 CYP19A1 (0.33) ACHELIPGCYP19A1BACE1PTGS2
SCHEMBL6250287 0.68 PTGS2 (0.38) ACHELIPGCYP19A1BACE1PTGS2
SCHEMBL6253058 0.68 PTGS2 (0.38) ACHELIPGCYP19A1BACE1PTGS2
SCHEMBL6253785 0.68 PTGS2 (0.38) ACHELIPGCYP19A1BACE1PTGS2
SCHEMBL27885764 0.68 DNTT (0.34) ACHELIPGCYP19A1BACE1PTGS2
SCHEMBL31372642 0.68 LIPG (0.33) ACHELIPGCYP19A1PTGS2ESR1
SCHEMBL10450060 0.68 DNTT (0.34) ACHELIPGCYP19A1BACE1PTGS2
Hydrochloric Acid SCHEMBL8397551 0.67 PTGS2 (0.37) ACHELIPGCYP19A1BACE1PTGS2
SCHEMBL11960123 0.67 LIPG (0.32) ACHELIPGBACE1PTGS2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828159-B1 Method for the detection of lysozyme BAYER AG (US) 2002-07-17 EP disclosed
US-5753455-A ALKYLSULFONIC ACID BAYER CORPORATION (US) 1998-05-19 US disclosed
US-5750405-A ALBUMIN DETECTION IN URINE WITH QUANTITATIVE ANALYSIS BAYER CORPORATION (US) 1998-05-12 US disclosed
EP-0828159-A1 Method for the detection of lysozyme Bayer Corporation (US) 1998-03-11 EP disclosed
EP-0517054-B1 Nitro or nitroso substituted polyhalogenated phenolsulfonephthaleins as protein indicators in biological samples BAYER AG (US) 1998-01-07 EP disclosed
EP-0793099-A1 Improved method for the detection of protein Bayer Corporation (US) 1997-09-03 EP disclosed
US-5279790-A Analyzing test strip MILES INC. (US) 1994-01-18 US disclosed
US-5187104-A Test strip including absorbent carrier impregnated with protein indicator; colorimetric analysis MILES INC. (US) 1993-02-16 US disclosed
EP-0517054-A1 Nitro or nitroso substituted polyhalogenated phenolsulfonephthaleins as protein indicators in biological samples Bayer Corporation (US) 1992-12-09 EP disclosed