SCHEMBL7110729

SCHEMBL7110729

Cc1c(C=CCO)cccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
S1PR4 O95977 1/20 0.39
ITGA4 P13612 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL7110726 1.00 DDB1 (0.47) DDB1CRBNALDH1A1HPGDMEN1
SCHEMBL7109286 0.84 DDB1 (0.51) DDB1CRBNALDH1A1HPGDMEN1
SCHEMBL7104410 0.80 DDB1 (0.40) DDB1CRBNALDH1A1HPGDMEN1
SCHEMBL7104442 0.78 DDB1 (0.52) DDB1CRBNALDH1A1HPGDMEN1
SCHEMBL7104413 0.77 DDB1 (0.41) DDB1CRBNALDH1A1HPGDMEN1
SCHEMBL12290718 0.76 DDB1 (0.53) DDB1CRBNALDH1A1HPGDMEN1
SCHEMBL7105655 0.76 DDB1 (0.53) DDB1CRBNALDH1A1HPGDMEN1
SCHEMBL22656552 0.74 POLB (0.50) DDB1CRBNALDH1A1HPGDMEN1
SCHEMBL7829039 0.74 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL7829042 0.74 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMAPTLMNA

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
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed