SCHEMBL9799716

SCHEMBL9799716

CCCCCC[C@H](C)OC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
CTRC Q99895 1/20 0.54
MAOB P27338 1/20 0.52
TSHR P16473 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
PARP10 Q53GL7 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRD5A2 P31213 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 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
SCHEMBL9346509 1.00 ALDH1A1 (0.57) ALDH1A1CTRCMAOBTSHRNR4A1
SCHEMBL9816871 0.97 ALDH1A1 (0.54) ALDH1A1CTRCMAOBTSHRNR4A1
SCHEMBL16602456 0.91 TSHR (0.58) ALDH1A1TSHRLMNARXRARXRB
SCHEMBL9779542 0.90 ALDH1A1 (0.52) ALDH1A1CTRCMAOBNR4A1NR4A2
SCHEMBL9799527 0.90 ALDH1A1 (0.52) ALDH1A1CTRCMAOBNR4A1NR4A2
SCHEMBL9799530 0.90 ALDH1A1 (0.52) ALDH1A1CTRCMAOBNR4A1NR4A2
SCHEMBL9347099 0.88 CTRC (0.53) ALDH1A1CTRCMAOBNR4A1NR4A2
SCHEMBL8533732 0.88 ALDH1A1 (0.60) ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL9504781 0.87 RARB (0.55) ALDH1A1TSHRLMNARXRARXRB
SCHEMBL10356156 0.86 CTRC (0.56) ALDH1A1CTRCMAOBNR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061399-A FERROELECTRICITY THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-29 US disclosed
EP-0302875-B1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1991-02-27 EP disclosed
EP-0302875-A1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM. SECR DEFENCE BRIT (GB) 1989-02-15 EP disclosed
WO-1987006577-A2 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-11-05 WO disclosed