SCHEMBL11214828

SCHEMBL11214828

CC(=O)c1cc2c(cc1[N+](=O)[O-])C(C)(C)CC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
RXRA P19793 1/20 0.41
ALDH1A1 P00352 7/20 0.37
GPR35 Q9HC97 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CYP3A4 P08684 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HNF4A P41235 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13668264 0.92 MAPT (0.39) MAPTRXRAALDH1A1GPR35KMT2A
SCHEMBL15415677 0.82 TSHR (0.42) MAPTRXRAALDH1A1GPR35KMT2A
SCHEMBL13668281 0.82 ALDH1A1 (0.39) MAPTRXRAALDH1A1KMT2AMAPK1
SCHEMBL11216738 0.75 TDP1 (0.37) MAPTRXRAALDH1A1GPR35KMT2A
SCHEMBL8851470 0.74 RXRA (0.49) RXRAKMT2AMEN1BLM
SCHEMBL11209520 0.74 HNF4A (0.43) MAPTALDH1A1KMT2AMAPK1MEN1
SCHEMBL13668247 0.73 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMAPK1MEN1
SCHEMBL17968225 0.73 RXRA (0.49) RXRAKMT2AMEN1BLM
SCHEMBL11214331 0.73 RXRA (0.49) RXRAKMT2AMEN1CYP3A4BLM
SCHEMBL11258404 0.73 RXRA (0.35) MAPTRXRAALDH1A1KMT2AMEN1

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
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US disclosed
EP-0002742-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND MEDICINES CONTAINING THESE STILBENE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-14 EP disclosed
EP-0002742-A1 Stilbene derivatives, their preparation and medicines containing these stilbene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 EP disclosed