SCHEMBL7868596

SCHEMBL7868596

CC(=O)CCC(=S)OCCO

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.37
SLC15A2 Q16348 1/20 0.37
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.33
MGLL Q99685 1/20 0.31

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
SCHEMBL28395334 0.80 ADRA2A (0.41) TSHRACHEMGLL
SCHEMBL11068035 0.77 ALDH1A1 (0.48) ALDH1A1LMNASLC15A2TSHR
SCHEMBL1827727 0.77 ADRA2A (0.48) ALDH1A1LMNASLC15A2TSHRACHE
SCHEMBL10826601 0.74 LMNA (0.48) ALDH1A1LMNASLC15A2TSHR
SCHEMBL3490442 0.74 ALDH1A1 (0.56) ALDH1A1LMNASLC15A2TSHRACHE
SCHEMBL31126006 0.72
SCHEMBL18411702 0.70 MGLL (0.49) ALDH1A1TSHRACHEMGLL
SCHEMBL7865879 0.69
SCHEMBL29507152 0.69 ALDH1A1 (0.39) ALDH1A1TSHRACHE
SCHEMBL15484378 0.68 DGKA (0.55) LMNATSHRMGLL

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-0820489-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1998-01-28 EP claimed
WO-1996029367-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INCORPORATED (US) 1996-09-26 WO claimed
EP-0820489-B1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC (US) 2001-07-11 EP disclosed