SCHEMBL5719646

SCHEMBL5719646

OCCCCCl.OCCCCCl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL1041 1.00
SCHEMBL4532450 0.96 TSHR (0.44) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL4055586 0.96 TSHR (0.44) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL4525595 0.96 TSHR (0.44) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL4530049 0.96 TSHR (0.44) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL4530283 0.96 TSHR (0.44) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL4533367 0.96 TSHR (0.44) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL4529308 0.96 TSHR (0.44) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL4528477 0.96 TSHR (0.44) TSHRALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL3392391 0.96

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-1692279-A4 PRESERVATIVE-CONTAINING VIRUS FORMULATIONS MERCK & CO INC (US) 2006-12-27 EP disclosed
EP-1692279-A2 PRESERVATIVE-CONTAINING VIRUS FORMULATIONS Merck & Co., Inc. (US) 2006-08-23 EP disclosed
WO-2005052116-A2 PRESERVATIVE-CONTAINING VIRUS FORMULATIONS MERCK & CO., INC. (US) 2005-06-09 WO disclosed