SCHEMBL2807977

SCHEMBL2807977

CCB(O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
KCNA3 P22001 1/20 0.36
ALOX15 P16050 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
CA5A P35218 1/20 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
SCHEMBL20557365 0.82 ACHE (0.42) CA2LMNAALDH1A1TSHRL3MBTL1
SCHEMBL28464653 0.78 LPL (0.48) LMNAALDH1A1TSHRL3MBTL1ATM
SCHEMBL28454846 0.78 CA1 (0.38) CA1CA2LMNAALDH1A1TSHR
SCHEMBL28464472 0.78 ACHE (0.48) LMNAALDH1A1L3MBTL1POLB
SCHEMBL11267880 0.77 LTA4H (0.39) LTA4HCA1CA2CA4LMNA
SCHEMBL7416230 0.76 KCNA3 (0.44) LTA4HCA4ALDH1A1RECQLTSHR
SCHEMBL7026699 0.76 CA1 (0.45) LTA4HCA1CA2CA4LMNA
SCHEMBL2126537 0.74 LTA4H (0.41) LTA4HCA1CA2CA4LMNA
Ether SCHEMBL27558445 0.74 LTA4H (0.41) LTA4HCA1CA2CA4LMNA
Methyl Alcohol SCHEMBL28136181 0.73 CA4 (0.43) LTA4HCA1CA2CA4LMNA

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
WO-2018136401-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-07-26 WO claimed
US-20100236924-A1 LIQUID ELECTROLYTE COMPOSITION AND ITS USE IN GAS SENSORS LIFE SAFETY DISTRIBUTION AG (CH) 2010-09-23 US claimed
EP-2226627-A1 Liquid electrolyte composition and its use in gas sensors Life Safety Distribution AG (CH) 2010-09-08 EP claimed
WO-2018136401-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2018-07-26 WO disclosed
US-20100236924-A1 LIQUID ELECTROLYTE COMPOSITION AND ITS USE IN GAS SENSORS LIFE SAFETY DISTRIBUTION AG (CH) 2010-09-23 US disclosed
EP-2226627-A1 Liquid electrolyte composition and its use in gas sensors Life Safety Distribution AG (CH) 2010-09-08 EP disclosed
WO-2008103016-A1 ATORVASTATIN INTERMEDIATES AND METHOD FOR PRODUCING THE SAME SUNGWUN PHARMACOPIA CORPORATION (KR) 2008-08-28 WO disclosed
EP-1206449-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-22 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001007407-A1 LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-02-01 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed