SCHEMBL6472220

SCHEMBL6472220

O=C(O)CCCCCCc1cccc2ccccc12.[Na]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
F13A1 P00488 3/20 0.50
MCL1 Q07820 2/20 0.50
MTNR1A P48039 1/20 0.49
MC4R P32245 1/20 0.48
MC5R P33032 1/20 0.48
MC3R P41968 1/20 0.48
MC1R Q01726 1/20 0.48
SLC16A3 O15427 1/20 0.48

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
SCHEMBL11414169 0.98 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL29865603 0.98 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL29865501 0.98 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL6842066 0.98 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL3732554 0.98 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL710750 0.98 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL1616841 0.98 TDP1 (0.59) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL6472349 0.97 TDP1 (0.57) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL27632418 0.97 TDP1 (0.57) TDP1MEN1KMT2AMAPTRXFP1
SCHEMBL22129565 0.97 TDP1 (0.61) TDP1MEN1KMT2AMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005019155-A1 PROCESS FOR THE PREPARATION OF 1,2,6,7,8,8A-HEXAHYDRO-BETA,DELTA,6-TRIHYDROXY-2-METHYL-8-[(2S)-2-METHYL-1-OXOBUTOXY]-, (BETA R,DELTA R,1S,2S,6S,8S,8AR)-1-NAPHTHALENEHEPTANOIC ACID, SODIUM SALT. BIOCON LIMITED (IN) 2005-03-03 WO claimed
WO-2005019155-A1 PROCESS FOR THE PREPARATION OF 1,2,6,7,8,8A-HEXAHYDRO-BETA,DELTA,6-TRIHYDROXY-2-METHYL-8-[(2S)-2-METHYL-1-OXOBUTOXY]-, (BETA R,DELTA R,1S,2S,6S,8S,8AR)-1-NAPHTHALENEHEPTANOIC ACID, SODIUM SALT. BIOCON LIMITED (IN) 2005-03-03 WO disclosed