SCHEMBL6536792

SCHEMBL6536792

O=C(O)CCCCSCCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
TDP1 Q9NUW8 2/20 0.74
KMT2A Q03164 1/20 0.74
HSD17B10 Q99714 1/20 0.74
BHMT Q93088 2/20 0.64
TSHR P16473 4/20 0.56
NFKB1 P19838 2/20 0.55
PMP22 Q01453 1/20 0.55
SLC22A6 Q4U2R8 2/20 0.50
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
AKR1B1 P15121 1/20 0.46
CYP2D6 P10635 1/20 0.46
FOLH1 Q04609 1/20 0.46
PTGS1 P23219 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
ALDH1A1 P00352 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
SCHEMBL2280524 0.95 LMNA (0.65) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL7692824 0.92 TSHR (0.67) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL10567294 0.92 LMNA (0.78) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL5168540 0.92 TSHR (0.67) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL9110967 0.92 TSHR (0.67) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL5168783 0.92 TSHR (0.67) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL7693275 0.92 TSHR (0.67) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL6866613 0.92 LMNA (0.78) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL20475058 0.92 TSHR (0.67) LMNATDP1KMT2AHSD17B10BHMT
SCHEMBL2353247 0.92 TSHR (0.67) LMNATDP1KMT2AHSD17B10BHMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326605-A4 METHODS FOR INHIBITING PROLIFERATION AND INDUCING APOPTOSIS IN CANCER CELLS UNIV CREIGHTON (US) 2004-03-17 EP disclosed
EP-1326605-A1 METHODS FOR INHIBITING PROLIFERATION AND INDUCING APOPTOSIS IN CANCER CELLS CREIGHTON UNIVERSITY (US) 2003-07-16 EP disclosed
WO-2001085166-A1 METHODS FOR INHIBITING PROLIFERATION AND INDUCING APOPTOSIS IN CANCER CELLS CREIGHTON UNIVERSITY (US) 2001-11-15 WO disclosed