SCHEMBL4748828

SCHEMBL4748828

C#Cc1ccc(OCCCCCCCCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
LTA4H P09960 4/20 0.55
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 4/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RARB P10826 3/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PLA2G4A P47712 1/20 0.47

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
SCHEMBL948700 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2832393 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL946779 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL3924421 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL9706419 1.00 NR5A1 (0.61) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL949228 0.98 NR5A1 (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL7697232 0.95 RARB (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10987211 0.95 RARB (0.58) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL1007565 0.94 LTA4H (0.53) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL10987443 0.93 CYP2D6 (0.56) NR5A1LTA4HTP53TSHRPLA2G4B

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
JP-6293690-A None JP disclosed
WO-2008120839-A1 NOVEL ORGANIC SEMICONDUCTOR COMPOUND, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME GYEONGSANG NATIONAL UNIVERSITY INDUSTRIAL AND ACADEMIC COLLABORATION FOUNDATION (KR) 2008-10-09 WO disclosed
JP-H06293690-A LIQUID CRYSTAL COMPOUND AND COMPOSITION SANYO CHEM IND LTD 1994-10-21 JP disclosed
US-5290478-A Nitrile containing naphthylene compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-01 US disclosed
EP-0385692-B1 OPTCALLY ACTIVE COMPOUNDS SANYO CHEMICAL INDUSTRIES LTD. (JP) 1993-10-06 EP disclosed
US-5160662-A Improved response times SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-03 US disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed
EP-0385692-A2 Optcally active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1990-09-05 EP disclosed