SCHEMBL11317622

SCHEMBL11317622

C=C(C)C(=O)OCCN(C(=O)NCCCC)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ACHE P22303 14/20 0.40
THRB P10828 1/20 0.39
FAAH O00519 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL24599169 0.92 TSHR (0.43) TSHRACHETHRBFAAH
SCHEMBL17758703 0.86 THRB (0.42) TSHRTHRB
SCHEMBL22493856 0.86 THRB (0.37) TSHRTHRB
SCHEMBL10093553 0.85 THRB (0.36) TSHRTHRB
SCHEMBL23153173 0.85 ACHE (0.43) TSHRACHE
SCHEMBL24599191 0.85 THRB (0.40) TSHRTHRB
SCHEMBL31405536 0.85 THRB (0.36) TSHRTHRB
SCHEMBL17483782 0.81 THRB (0.42) TSHRTHRB
SCHEMBL24599190 0.81 THRB (0.38) TSHRTHRB
SCHEMBL17756350 0.80 THRB (0.41) TSHRTHRB

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-4254003-A CONTAINING POLAR GROUPS FOR PAINTS DULUX AUSTRALIA LTD. (AU) 1981-03-03 US disclosed
US-4248754-A WATERPROOF PAINTS DULUX AUSTRALIA LTD (AU) 1981-02-03 US disclosed