SCHEMBL7359546

SCHEMBL7359546

CC(C)C1(CCc2ccccc2)CC=CC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.34
MDM2 Q00987 1/20 0.33
BACE1 P56817 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MCL1 Q07820 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
SCHEMBL7360298 0.82 TAAR1 (0.33) L3MBTL1ALDH1A1KMT2A
SCHEMBL6296227 0.76 GAA (0.39) GAAL3MBTL1ALDH1A1BACE1TSHR
SCHEMBL6297922 0.76 GAA (0.39) GAAL3MBTL1ALDH1A1BACE1TSHR
SCHEMBL6608641 0.75 ASAH1 (0.37) GAAL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL8008899 0.67 FFAR1 (0.43) LMNA
SCHEMBL7078065 0.66 WRN (0.36) GAAL3MBTL1ALDH1A1BACE1TSHR
SCHEMBL6296615 0.65 TAAR1 (0.38) ALDH1A1LMNAKDM4E
SCHEMBL6296613 0.65 TAAR1 (0.38) ALDH1A1LMNAKDM4E
SCHEMBL6296215 0.63 KDM4E (0.37) GAAALDH1A1LMNAKDM4E
SCHEMBL22015030 0.63 GAA (0.48) GAAL3MBTL1ALDH1A1BACE1TSHR

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-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP claimed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO claimed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed