SCHEMBL17833863

SCHEMBL17833863

COC(=O)CCCSSC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ALOX5 P09917 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2585487 0.89 TSHR (0.67) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL11427481 0.86
SCHEMBL11432968 0.82 TSHR (0.64) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL628936 0.82
SCHEMBL20634408 0.81 TSHR (0.72) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL11613489 0.80 TSHR (0.61) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL11612260 0.80 TSHR (0.61) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL18811280 0.80 TSHR (0.45) TSHRLMNAALDH1A1KDM4ERECQL
SCHEMBL14353413 0.79 TSHR (0.67) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL7261779 0.77 ALDH1A1 (0.39) TSHRLMNAALDH1A1MAPT

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
US-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 US disclosed
US-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 US disclosed