SCHEMBL7196687

SCHEMBL7196687

CCCCSC1=Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 10/20 0.39
S100A4 P26447 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PTGS2 P35354 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ACHE P22303 1/20 0.35
TLR8 Q9NR97 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
Hexane SCHEMBL28294030 0.73 ALDH1A1 (0.42) ALDH1A1HTTPTGS2MTNR1AMTNR1B
SCHEMBL7194834 0.72 POLB (0.39) ALDH1A1MAPTNPSR1HTTNPC1
SCHEMBL7199649 0.72 PTGS2 (0.41) PTGS2MTNR1AMTNR1BACHE
SCHEMBL27397679 0.72 TRPA1 (0.42) PTGS2MTNR1AMTNR1BACHE
SCHEMBL29922720 0.70 HTR1A (0.49) ALDH1A1PTGS2MTNR1AMTNR1BACHE
SCHEMBL7195698 0.70 HTR1A (0.49) ALDH1A1PTGS2MTNR1AMTNR1BACHE
SCHEMBL5613920 0.69 HTR2A (0.48) ALDH1A1PTGS2ACHE
SCHEMBL28478574 0.69 MAOA (0.43) PTGS2MTNR1AMTNR1BACHE
SCHEMBL21377201 0.68 SMN1; SMN2 (0.34) PTGS2NPC1RAB9AMTNR1AMTNR1B
SCHEMBL29922564 0.68 HTR2A (0.47) ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668865-B1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM NV (NL) 2003-07-23 EP disclosed
US-5990253-A METALLOCENES HAVING THE INDENE RING BINDING AT THE 2-POSITION RATHER THAN AT THE 1-POSITION; COORDINATION CATALYSTS; LESS CRYSTALLIZATION IN THE ADDITION POLYMERIZATION OF ELASTOMERS DSM N.V. (NL) 1999-11-23 US disclosed
US-5646322-A Indenyl compounds and catalyst components for the polymerization of olefins DSM N.V. (NL) 1997-07-08 US disclosed
EP-0668865-A1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM N.V. (NL) 1995-08-30 EP disclosed
WO-1994011406-A1 INDENYL COMPOUNDS AND CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS DSM N.V. (NL) 1994-05-26 WO disclosed