SCHEMBL9799651

SCHEMBL9799651

CCCCCC[C@@H](C)Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.59
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
BCHE P06276 4/20 0.47
AR P10275 1/20 0.47
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7775204 1.00 CTRC (0.59) CTRCLMNAL3MBTL1BCHEAR
SCHEMBL8924266 1.00 CTRC (0.59) CTRCLMNAL3MBTL1BCHEAR
Monobenzone SCHEMBL10867013 0.95 CTRC (0.57) CTRCLMNAL3MBTL1BCHEAR
SCHEMBL10000690 0.88 CTRC (0.49) CTRCLMNAL3MBTL1BCHEAR
SCHEMBL9421468 0.88 LMNA (0.57) CTRCLMNAL3MBTL1BCHECYP1A2
SCHEMBL10356156 0.87 CTRC (0.56) CTRCLMNAL3MBTL1CYP1A2CYP2C19
SCHEMBL10356479 0.87 CTRC (0.56) CTRCLMNAL3MBTL1CYP1A2CYP2C19
SCHEMBL10624666 0.85 NR5A1 (0.48) CTRCCYP1A2CYP2C19RAB9A
SCHEMBL10624624 0.85 NR5A1 (0.48) CTRCCYP1A2CYP2C19RAB9A
SCHEMBL9437186 0.85 CTRC (0.47) CTRCLMNAL3MBTL1CYP1A2PTGS1

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