SCHEMBL10290761

SCHEMBL10290761

CCOOCC1CCN(Cc2ccc(OC)cc2)C(c2ccc(F)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TACR1 P25103 1/20 0.42
MAPT P10636 1/20 0.42
DRD4 P21917 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
ADRB2 P07550 1/20 0.40
SSTR5 P35346 1/20 0.40
CACNA1G O43497 1/20 0.40

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
SCHEMBL10257754 0.89 RORC (0.54) RORCMEN1KMT2AALDH1A1GAA
SCHEMBL512342 0.79 RORC (0.49) RORCMEN1KMT2AALDH1A1GAA
SCHEMBL12685516 0.79 TACR1 (0.45) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL14373288 0.68 RORC (0.55) RORCMEN1KMT2AALDH1A1GAA
SCHEMBL10258473 0.68 TACR1 (0.48) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL12685539 0.68 SIGMAR1 (0.45) MEN1KMT2AALDH1A1MAPTDRD4
SCHEMBL512741 0.68 RORC (0.50) RORCMEN1KMT2AALDH1A1GAA
SCHEMBL16830552 0.67 RORC (1.00) RORC
SCHEMBL14373268 0.67 RORC (0.56) RORCMEN1KMT2AALDH1A1GAA
SCHEMBL28169051 0.66 TP53 (0.50) MEN1KMT2AALDH1A1GAANPSR1

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
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO disclosed