SCHEMBL10697807

SCHEMBL10697807

CN(C)C(=O)CCSCCCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 2/20 0.51
TSHR P16473 5/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
PTGS1 P23219 1/20 0.40
AKR1B1 P15121 1/20 0.40
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
HDAC11 Q96DB2 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
TLR2 O60603 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39

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
SCHEMBL6536792 0.81 LMNA (0.74) BHMTTSHRLMNATDP1KMT2A
SCHEMBL9516370 0.81 ALDH1A1 (0.52) BHMTTSHRLMNATDP1KMT2A
SCHEMBL812501 0.81 ALDH1A1 (0.61) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL2280524 0.81 LMNA (0.65) BHMTTSHRLMNATDP1KMT2A
SCHEMBL21703159 0.79 TSHR (0.60) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL4815884 0.79 TSHR (0.60) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL20993533 0.79 TSHR (0.60) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL5168783 0.79 TSHR (0.67) BHMTTSHRLMNATDP1KMT2A
SCHEMBL20475058 0.79 TSHR (0.67) BHMTTSHRLMNATDP1KMT2A
SCHEMBL7693275 0.79 TSHR (0.67) BHMTTSHRLMNATDP1KMT2A

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
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed