SCHEMBL11847722

SCHEMBL11847722

CN(C)c1ccccc1-c1ccc(C(O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PTGS2 P35354 3/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NSD2 O96028 1/20 0.39
EGFR P00533 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TACR1 P25103 2/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL11833493 0.81 MMP8 (0.40) LMNAMAPK1ALDH1A1KDM4ERXRA
SCHEMBL11841738 0.79 LMNA (0.57) LMNAMAPK1PTGS2MAPTTSHR
SCHEMBL11842569 0.79 PTGS2 (0.40) LMNAMAPK1ALDH1A1PTGS2RXRA
SCHEMBL4909538 0.78 ALDH1A1 (0.46) LMNAMAPK1ALDH1A1KDM4EMAPT
SCHEMBL19698852 0.77 MAPT (0.47) LMNAMAPK1ALDH1A1KDM4EPTGS2
SCHEMBL11838125 0.77 LMNA (0.59) LMNAMAPK1PTGS2MAPTTSHR
SCHEMBL11838727 0.77 LMNA (0.59) LMNAMAPK1ALDH1A1PTGS2TSHR
SCHEMBL2038687 0.77 RXRA (0.47) ALDH1A1KDM4ERXRARXRBMAPT
SCHEMBL29788057 0.77 RXRA (0.47) ALDH1A1KDM4ERXRARXRBMAPT
SCHEMBL11843767 0.76 PPARA (0.53) LMNAMAPK1PTGS2KMT2A

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-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 US disclosed