SCHEMBL7803473

SCHEMBL7803473

O=C(O)C1=C(C(=O)O)OCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.32
HCAR2 Q8TDS4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9173258 0.84 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL28580346 0.75 SLC6A3 (0.40)
SCHEMBL217840 0.72 DHODH (0.41) TSHRHCAR2ALDH1A1
SCHEMBL28247062 0.72 DHODH (0.41) TSHRHCAR2ALDH1A1
SCHEMBL5415654 0.72 DHODH (0.41) TSHRHCAR2ALDH1A1
SCHEMBL17024326 0.72 DHODH (0.41) TSHRHCAR2ALDH1A1
SCHEMBL12491709 0.72 DHODH (0.41) TSHRHCAR2ALDH1A1
SCHEMBL17024327 0.72 DHODH (0.41) TSHRHCAR2ALDH1A1
SCHEMBL12491707 0.72 DHODH (0.41) TSHRHCAR2ALDH1A1
Bromide SCHEMBL689744 0.70 DHODH (0.39) TSHRHCAR2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897381-B1 POLYETHER AMINO ACID ESTER COMPOUNDS, PREPARATION METHOD AND USE THEREOF SK CORP (KR) 2001-01-03 EP disclosed
US-6053955-A POLYETHER AMINO ACID ESTER AS CLEANING COMPOUNDS SK CORPORATION (KR) 2000-04-25 US disclosed
EP-0897381-A1 POLYETHER AMINO ACID ESTER COMPOUNDS, PREPARATION METHOD AND USE THEREOF SK Corporation (KR) 1999-02-24 EP disclosed
WO-1997036854-A1 POLYETHER AMINO ACID ESTER COMPOUNDS, PREPARATION METHOD AND USE THEREOF SK CORPORATION (KR) 1997-10-09 WO disclosed