SCHEMBL16264686

SCHEMBL16264686

O=C(O)CCCCC(=S)CCS

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.61
LMNA P02545 2/20 0.52
TSHR P16473 3/20 0.50
NFKB1 P19838 2/20 0.50
PMP22 Q01453 1/20 0.50
ACE P12821 1/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
GSTK1 Q9Y2Q3 2/20 0.43
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
AKR1B1 P15121 1/20 0.42
CYP2D6 P10635 1/20 0.42
ENPEP Q07075 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
HDAC11 Q96DB2 2/20 0.41

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
SCHEMBL9754253 0.85 TSHR (0.71) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL10714923 0.82 LMNA (0.61) FOLH1LMNATSHRNFKB1PMP22
SCHEMBL28817041 0.77 ACE (0.75) FOLH1LMNATSHRNFKB1PMP22
SCHEMBL5078242 0.77 FOLH1 (0.42) FOLH1HDAC11
SCHEMBL8991879 0.76
SCHEMBL204062 0.76
Mercaptopropionic Acid SCHEMBL28841529 0.76
Adipic Acid SCHEMBL9182995 0.76 LMNA (0.92) FOLH1LMNATSHRNFKB1PMP22
SCHEMBL4348773 0.76
SCHEMBL4531504 0.74 FOLH1 (0.94) FOLH1LMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014181245-A1 METHOD FOR CONTROLLING SOLUBILITY OF QUANTUM DOTS ALMA MATER STUDIORUM UNIVERSITA' DI BOLOGNA (IT) 2014-11-13 WO disclosed