SCHEMBL8400937

SCHEMBL8400937

O=C(O)CCCCC1SCCS1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 2/20 0.52
PMP22 Q01453 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP2C9 P11712 1/20 0.52
NR1I2 O75469 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.52
ACHE P22303 1/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
TARDBP Q13148 1/20 0.52

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
SCHEMBL5231959 0.93 LMNA (0.44) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL15757375 0.92 LMNA (0.49) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL8531514 0.84 FOLH1 (0.41) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL10190942 0.81 PAOX (0.40) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL7687386 0.77 LMNA (0.65) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL5314758 0.76 FOLH1 (0.43) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL24003308 0.72 LMNA (0.59) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL6938450 0.71 LMNA (0.65) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL11329424 0.70 KDM5A (0.61) LMNATDP1HSD17B10TSHRPMP22
SCHEMBL22140615 0.70 LMNA (0.52) LMNATDP1HSD17B10TSHRPMP22

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
JP-11269171-A None JP disclosed
JP-H11269171-A THERAPEUTIC AGENT FOR FAT METABOLIC DISORDER COMPRISING 5-(1,2-DITHIOLAN-3-YL-)VALERIC ACID (ALPHA-LIPOIC ACID) OR ITS PHYSIOLOGICALLY ACCEPTABLE SALT AS ACTIVE INGREDIENT BIRD BEROLINA INNOV RES & DEV GMBH 1999-10-05 JP disclosed