SCHEMBL9203330

SCHEMBL9203330

C=C(C)c1noc(C(=O)O)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
LMNA P02545 4/20 0.38
POLB P06746 1/20 0.38
PTGS1 P23219 1/20 0.38
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 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
SCHEMBL9592409 0.90 ALDH1A1 (0.48) ALDH1A1LMNAPOLBPTGS1HTT
SCHEMBL9200545 0.80 PTGS1 (0.35) ALDH1A1LMNAPOLBPTGS1HTT
SCHEMBL9592232 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHTTL3MBTL1NPSR1
SCHEMBL9199739 0.77 HTT (0.50) ALDH1A1LMNAPOLBPTGS1HTT
SCHEMBL9077424 0.73 LMNA (0.44) ALDH1A1LMNAPOLBPTGS1HTT
SCHEMBL2570798 0.70 PTGS1 (0.71) ALDH1A1LMNAPOLBPTGS1GAA
SCHEMBL9205492 0.68 TRPV1 (0.40) LMNAHTTRAB9A
SCHEMBL4777369 0.67 ALDH1A1 (0.51) ALDH1A1LMNAPOLBHTTNPSR1
SCHEMBL9585593 0.66 ALDH1A1 (0.50) ALDH1A1POLBHTTNPSR1
SCHEMBL9595007 0.66 ALDH1A1 (0.44) ALDH1A1LMNAPOLBPTGS1HTT

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-0418667-B1 Carboxylic acid amides BASF AG (DE) 1995-08-16 EP disclosed
US-5201932-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
EP-0418667-A2 Carboxylic acid amides BASF Aktiengesellschaft (DE) 1991-03-27 EP disclosed