SCHEMBL8401876

SCHEMBL8401876

CCCCCCCCCc1cc(Br)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 1/20 0.54
ALOX5 P09917 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KAT8 Q9H7Z6 4/20 0.44
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44

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
SCHEMBL574556 1.00 TYR (0.54) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL573232 0.98 TYR (0.51) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL573894 0.93 TYR (0.52) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL27489482 0.87 ALOX5 (0.50) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL574298 0.85 ALOX5 (0.50) CYP3A4MEN1ALOX5ALOX15TSHR
SCHEMBL27827947 0.83 TYR (0.50) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL27878175 0.83 TYR (0.50) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL126053 0.81 ALOX5 (0.73) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL9621880 0.81 ALOX5 (0.73) TYRTP53CYP3A4MEN1ALOX5
SCHEMBL580940 0.81 ALOX5 (0.73) TYRTP53CYP3A4MEN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859067-A PREPARING BIS(2-HYDROXY-1-NAPHTHYL)DECANE FROM THE CORRESPONDING DIACID; FORMING ACID DICHLORIDE; TREATING WITH 2-NAPHTHOL; REARRANGEMENT; REDUCTION; INHIBITS ACTION OF ADENOSINE TRIPHOSPHATASE ROUFOGALIS BASIL DON (AU) 1999-01-12 US disclosed
US-5741821-A PHENOLIC ENZYME INHIBITORS THE UNIVERSITY OF SYDNEY (AU) 1998-04-21 US disclosed
EP-0703780-A4 USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE UNIV SYDNEY (AU) 1998-01-07 EP disclosed
CN-1124922-A Use of natural products and related synthetic compounds for the treatment of cardiovascular diseases UNIV SYDNEY (AU) 1996-06-19 CN disclosed
EP-0703780-A1 USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE THE UNIVERSITY OF SYDNEY (AU) 1996-04-03 EP disclosed
WO-1994028886-A1 USE OF NATURAL PRODUCTS AND RELATED SYNTHETIC COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE THE UNIVERSITY OF SYDNEY (AU) 1994-12-22 WO disclosed