SCHEMBL1274401

SCHEMBL1274401

CCCC/C(=C\C(=O)OCCCO)C(=O)OCCCO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.43
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 3/20 0.41
ACHE P22303 6/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DNM1 Q05193 1/20 0.35
MGLL Q99685 1/20 0.34
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33

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
SCHEMBL8846378 0.92 ATM (0.55) ATMTSHRHPGDHCAR2MAPT
SCHEMBL1244640 0.92 ATM (0.55) ATMTSHRHPGDHCAR2MAPT
SCHEMBL3296923 0.92 ATM (0.55) ATMTSHRHPGDHCAR2MAPT
SCHEMBL3604815 0.92 ATM (0.55) ATMTSHRHPGDHCAR2MAPT
SCHEMBL1244643 0.92 ATM (0.55) ATMTSHRHPGDHCAR2MAPT
SCHEMBL27365356 0.90 ATM (0.53) ATMTSHRHPGDHCAR2MAPT
SCHEMBL28167344 0.89 HCAR2 (0.51) ATMTSHRHPGDHCAR2NPSR1
SCHEMBL1274403 0.87 HCAR2 (0.41) ATMTSHRHPGDHCAR2ACHE
SCHEMBL7770019 0.87 HCAR2 (0.41) ATMTSHRHPGDHCAR2ACHE
SCHEMBL1274405 0.87 HCAR2 (0.41) ATMTSHRHPGDHCAR2ACHE

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
US-20110046332-A1 HYDROGEL BASED ON COPOLYMERS CONTAINING SILICONE EVONIK ROEHM GMBH (DE) 2011-02-24 US disclosed