SCHEMBL6455814

SCHEMBL6455814

CCCCC([C](c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGS2 P35354 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 1/20 0.40
CTRC Q99895 1/20 0.40
MME P08473 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 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
SCHEMBL9306203 0.93 CES2 (0.44) ALDH1A1PTGS2CES2CES1OPRM1
SCHEMBL4880653 0.93 CES2 (0.44) ALDH1A1PTGS2CES2CES1OPRM1
SCHEMBL11119491 0.93 CES2 (0.44) ALDH1A1PTGS2CES2CES1OPRM1
SCHEMBL27614814 0.83 CES2 (0.51) POLBALDH1A1KDM4ECES2CES1
SCHEMBL11655496 0.82 LMNA (0.57) POLBALDH1A1CES2CES1LMNA
SCHEMBL11536491 0.82 POLB (0.42) POLBALDH1A1KDM4EPTGS2CES2
SCHEMBL1508070 0.81 POLB (0.54) POLBALDH1A1KDM4ELMNAHSD17B10
SCHEMBL399241 0.81 POLB (0.46) POLBALDH1A1KDM4EPTGS2LMNA
SCHEMBL4875739 0.80 LMNA (0.53) POLBALDH1A1LMNAHSD17B10
SCHEMBL6198748 0.80 POLB (0.43) POLBALDH1A1KDM4ELMNAMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900280-B2 Acid macromonomers and their method of preparation CIBA SPECIALTY CHEMICALS CORP. (US) 2005-05-31 US disclosed
US-20040072978-A1 Compositions of acid macromonomers and their method of preparation CIBA SPECIALTY CHEMICALS CORP. 2004-04-15 US disclosed
EP-1392736-A2 ACID MACROMONOMERS AND THEIR METHOD OF PREPARATION Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
EP-1056790-B1 METHOD FOR RETARDED ANIONIC POLYMERIZATION BASF AG (DE) 2003-04-23 EP disclosed
WO-2002079271-A2 ACID MACROMONOMERS AND THEIR METHOD OF PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed
EP-0624157-A1 CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM -g(g),-g(d)-EPOXYBUTENES. EASTMAN CHEM CO (US) 1994-11-17 EP disclosed
WO-1993010111-A1 CONTINUOUS PROCESS FOR THE MANUFACTURE OF 2,5-DIHYDROFURANS FROM η,δ-EPOXYBUTENES EASTMAN KODAK COMPANY (US) 1993-05-27 WO disclosed